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EURASIAN PHYSICAL TECHNICAL JOURNAL
p - ISSN 1811-1165 e - ISSN 2413-2179
Volume 14, No. 2(28), 2017
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Kubeev E.K., Karaganda State University named after E.A.Buketov, Karaganda, Kazakhstan
EDITOR in Chief
Sakipova S.E., Karaganda State University named after E.A.Buketov, Karaganda, Kazakhstan
EDITORIAL BOARD
Aringazin A.K., Institute for Basic Research, L.N. Gumilev Eurasian National University, Astana, Kazakhstan
Dueck J., Erlangen-Nuernberg University, Erlangen, Germany
Dzhumanov S., National University of Uzbekistan named after M. Ulugbek, Tashkent, Uzbekistan
Epik E.Ya., Institute of Engineering Thermophysics, National Sciences Academy of Ukraine, Kiev, Ukraine
Ibrayev N.Kh., Institute of Molecular Nanophotonics, Karaganda State University named after E.A.Buketov, Karaganda, Kazakhstan
Jakovics A., Faculty of Physics and Mathematics, University of Latvia, Riga, Latvia
Kidibaev M.M., Issyk-kul State University named after K.Tynystanov, Karakol, Kyrgyzstan
Kumekov S.E., Kazakh State National Technical University named after K.Satbaev, Almaty, Kazakhstan
Kuritnyk I.P., Department of Electronics and Automation, High school in Oswiecim, Poland
Miau J.J., Department of Aeronautics and Astronautics, National Cheng Kung University, Tainan, Taiwan
Pedrini C., University Claude Bernard Lyon I, France
Potapov A.A., V.A.Kotelnikov Institute of Radio Engineering and Electronics of RAS, Moscow, Russia
Pribaturin N.A., Institute of Thermal Physics, SB RAS, Novosibirsk, Russia
Rahimov F.K., Tajik State National University, Dushanbe, Tajikistan
Sakovich G.V., Institute of Chemical Problems and Power Technologies, Byisk, Russia
Saulebekov A.O Kazakhstan Branch of Lomonosov Moscow State University, Astana, Kazakhstan
Shrager E.R., National Research Tomsk State University, Tomsk, Russia
Stoev M., South-West University «Neofit Rilski», Blagoevgrad, Bulgaria
Zhanabaev Z.Zh., Al-Farabi Kazakh National State University, Almaty, Kazakhstan
CONSULTANT OF TRANSLATION
Yakhina S.B., Karaganda State University named after E.A. Buketov, Karaganda, Kazakhstan
TECHNICAL EDITORS
Akhmerova K.E., Kambarova Zh.T. Karaganda State University named after E.A.Buketov, Karaganda, Kazakhstan
© Karaganda State University, 2017 © Қарағанды мемлекеттік университеті, 2017
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Registration Certificate No. 4382-Zh, November 7, 2003.
4
Eurasian Physical Technical Journal
Vol. 14, No. 2(28) 2017 CONTENTS
NONLINEAR PHYSICS.
Somsikov V.M.
FROM THE LAWS OF CLASSICAL MECHANICS TO THE LAWS OF
THERMODYNAMICS …………..…………..…………..…………..………..……..………….
4
Kheyfetz M.L., Vityaz P.A., Kolmakov A.G., Klimenko S.A., Senyut V.T.
PHYSICAL AND CHEMICAL ANALYSIS OF NONEQUILIBRIUM PROCESSES OF
SYNTHESIS OF NANOSTRUCTURAL CONSTRUCTION MATERIALS AND
COATINGS. …………..…………..…………..…………..………..……..………….………….
10
MODELING OF THE NONLINEAR PHYSICAL AND TECHNICAL PROCESSES.
Kostromina O.S., Potapov A.A., Rakut I.V., Rassadin A.E.
TOTAL HARMONIC DISTORSIONS IN OSCILLATORY CIRCUIT WITH A FERRO-
ELECTRIC CAPACITOR WITH A NEGATIVE CAPACITANCE. …………..……................
14
Karibayev B.A., Zhanabaev Z.Zh., Temirbayev A.A., Imanbayeva A.K., Namazbayev T.A.
PATTERN LOBES AND BEAMWIDTHS OF A NOVEL FRACTAL ANTENNA ………….
22
Karstina S.G.
COMPUTER MODELLING AND DESCRIBTION OF STABLE MOLECULAR CLUSTER
FORMATION DYNAMICS IN DISPERSION MATRIX USING MULTIFRACTAL
ANALYSIS ……………………………………………………………………………………
27
MATERIAL SCIENCES. TECHNOLOGIES FOR CREATING NEW MATERIALS.
Dikhanbaev K.K., Musabek G.K., Sivakov V.A., Shabdan E., Bondarev A.I.
THERMOELECTRICALLY CHARACTERISTICS OF ZNO: AL FILMS OBTAINED BY
THERMAL AND MAGNETRON SPUTTERING…………………………………………….
31
Komarov A.I., Senyut V.T., Komarova, V.I
STRUCTURE OF THE SUPERHERD COMPOSITE SYNTHESIZED FROM
HEXAGONAL BORN NITRIDE AND NITRIDE OF NITRIDE ALUMINUM………………
37
Kambarova ZH.T., Saulebekov A.O.
DEVELOPMENT OF MIRROR ENERGY ANALYZER BASED ON ELECTROSTATIC
QUADRUPOLE-CYLINDRICAL FIELD………………………………………………………
42
Agelmenev M.E., Bratukhin S.M., Polikarpov V.V., Bektasova G. S.., Sabiev S.Y.,
Salkeyva A.K.
MODELING OF SYSTEM THAT BASED ON NEMATIC LIQUID CRYSTALS, DOUBLE-
SIDED CARBON NANOTUBE AND FULLERENE MOLECULES C60…………………..
48
Agelmenev M.E., Bratukhin S.M., Polikarpov V.V., Bektasova G.S.., Sabiev S.Y.,
Salkeyva A.K.
MODELING OF PHYSICOCHEMICAL PROPERTIES OF NEW DERIVATIVES OF
ARYLPROPARGYL ETHERS OF PHENOLS…………………………………………………
57
5
Kumekov S. E., Saitova N. K., Syrgaliyev E. O.
MIGRATION OF OPTICAL EXCITED STATES OF THE MODIFIED CHROMIUM
COMPLEXES OF COLLAGEN………………………………………………………………
63
Makhanov K.M., Ermaganbetov K.T., Ismailov Zh.T., Chirkova L.V., Amochaeva G.P.,
Omarova Zh.T., Askerbekova A.A.
RESEARCH OF GRAPHITE AND ALUMINUM PARTICLES IN A POLYMER FILM
MATRIX…………………………………………………………………………………………
67
Ibrayev N.Kh., Serikov T.M., Zeinidenov A.K.
INVESTIGATION OF THE STRUCTURAL, OPTICAL AND PHOTOCATALYTIC
PROPERTIES OF TIO2 NANOTUBES…………………………………………………………
72
Nurmakhanova A.K., Afanasyev D.A., Ibrayev N.Kh.
INFLUENCE OF KI IMPURITY ON SPECTRAL-KINETIC PROPERTIES OF POLY (9,9-
DI-N-OCTYL FlUORENYL-2,7-DIYL) FILMS………………………………………………
79
ENERGETICS. THERMOPHYSICS. HYDRODYNAMICS.
Girts Zageris, Andris Jakovics, Vadims Geza
SLAG FORMATION MODELLING IN AN ENTRAINED-FLOW GASIFIER……………….
87
Satybaldin A.Zh., Aitpaeva Z.K., Ospanova D.A.
INVESTIGATION OF THE EFFECT OF THE CATALYST ON THE COMPOSITION AND
STRUCTURE OF PETROL FRACTION IN OIL UNDER ELECTRIC HYDROPULSE
PROCESSING .………..………………………………………………………………………
94
Toleuov G., Issatayev M.S., Seidulla Zh.K.
EXPERIMENTAL STUDY OF COMPLEX CURRENTS (THREE-DIMENSIONAL JET
AND BODY WAKE). …………………………………………………………………………..
100
Yershin Sh.A., Yershina
A.K., Ydyryssova A.
VERTICAL-AXIAL TWO ROTARY WIND POWER ENGINES……………………………..
108
Suprun Tetiana
PHYSICAL MODELING THE UNSTEADY FLOW WITH WAKES……..……
115
Sakipova S.E., Tanasheva N.K., Kussaiynova A.K.
STUDY OF AERODYNAMICS OF A TWO-BLADED WIND TURBINE WITH POROUS-
SURFACED CYLINDRICAL BLADES……….……………………………………………….
120
SUMMARIES……………………………………………………………………….………….. 125
INFORMATION ABOUT AUTHORS…………………………………………….………….. 135
GUIDELINES FOR AUTHORS…………………………………………….…………….… 138
4 ISSN 1811-1165 (Print) ISSN 2413-2179 (Online) Eurasian Physical Technical Journal, 2017, Vol.14, No.2(28)
UDC 530.1
FROM THE LAWS OF CLASSICAL MECHANICS TO THE LAWS OF
THERMODYNAMICS
Somsikov V.M.
Institute of the Ionosphere, Almaty, Kazakhstan, [email protected]
It is shown that the laws of thermodynamics can be justified based on the laws of classical mechanics,
relying on the mechanics of structured particles (SP). The difference between this mechanics and classical
mechanics is that in the classical mechanics, the body model is used in the form of a material point (MP),
and in the mechanics of the SP, a model in the form of a SP is used. As a SP, a system consisting of a
sufficiently large number of potentially interacting MPs is taken. It is shown how the thermodynamic
principle of energy is related to the energy duality, based on which the mechanics of the SP are constructed.
It is explained what is the D-entropy. It is shown how the Boltzmann entropy formula is modified in
accordance with the extended Liouville equation obtained in the mechanics of the SP.
Keywords: classical mechanics, thermodynamics, irreversibility, entropy, structural particles.
Introduction
The task of thermodynamics is to describe the behavior of systems which close to equilibrium,
with a huge number of elements. The laws of thermodynamics answer the questions, what are the
physical properties of the systems. However, the questions about the nature of these laws remain
open [1]. The justification of thermodynamic laws is an actual problem of modern fundamental
physics [2]. The main difficulty, which hitherto stood in the way of its solution, was connected with
the fact that the laws of fundamental physics are reversible in time [3]. In particular, the motions of
the material point (MP), as well as their combinations, determined by the laws of Newton and by
the canonical formalisms of classical mechanics, are reversible. However, for thermodynamics the
second law is valid, according to which all processes in real systems have a "time arrow", that is,
they are irreversible [1]. Not so recently, a deterministic solution to the irreversibility problem has
been found, which follows from the laws of classical mechanics and relies on the mechanics of the
SP [4]. This opened up the possibility of substantiating thermodynamics.
Here, relying on the mechanics of the SP, a way of justifying the laws of thermodynamics in
the framework of the fundamental laws of physics is proposed. First, a brief explanation of the
mechanics of the SP is given. It is shown how the thermodynamic principle of energy is related to
the principle of symmetry duality (PDS), based on which the mechanics of the SP were constructed.
The essence of the PDS is that the dynamics of bodies is determined not only by the symmetries of
space, but also by the symmetries of the body itself. From the PDS follows the duality of energy,
based on which the equation of motion of the SP is obtained. It is explained what is D-entropy,
which appearing in the mechanics of the SP. It is shown how the Boltzmann formula for entropy is
modified in accordance with the extended Liouville equation obtained based on the mechanics of
SP [12].
1. The main elements of the mechanics of the SP
In the SP mechanics, the SP is used as the basic model of the body. The SP is an equilibrium
system of potentially interacting MPs. Since in the local thermodynamic equilibrium approximation
the nonequilibrium system (NS) is representable by the set of SP [1, 7], the mechanics of the SP
allow us to describe dissipative processes when the HC approaches equilibrium.
Nonlinear Physics. 5
.
If we take into account the structure of the body, it will be possible to describe the mechanism
of transformation of the energy of its motion into internal energy, relying on the laws of classical
mechanics. The simplest example of such a transformation is the heating of a body due to friction
when it slipping on the inclined surface.
The mechanics of the SP are constructed based on the principle of symmetry duality of the
PDS. In accordance with the PDS, the total energy of the system based on which the equation of
motion of the SP is derived is represented by the sum of the internal energy and energy of motion.
This representation of energy is realized in micro- and macro variables. The micro variables
determine the movement of the MPs relative to the center of mass of the system. The macro
variables determine the movement of the SP in the space. Thus, in these variables the energy of the
MP system automatically decays into the energy of its motion and internal energy. It can be written
as [4, 5]:
int trE E E (1)
intE - is internal energy, determined by a group of micro variables, trE is the energy of motion
of the SP, determined by a group of macro variables. Macro - and micro variables form two groups
of independent variables [4]. This is easy to show if we take into account that the dynamics of the
elements of the body does not affect in any way the dynamics of the body itself, in view of Galileo's
principle of relativity.
The motion equation of SP is derived from the energy (1). It has the form [5]:
NN
env
NN VFVM , (2)
where N - is a coefficient determined by the change in internal energy. It is a single-valued
function of micro- and macro variables.
The first term on the right-hand side of (2) is the potential force changing the kinetic energy of
the SP. The second term determines the change in the internal energy of the SP. Since the SP is in
equilibrium, within a wide range its dynamics is determined by the internal energy and does not
depend on the chaotic motion of each MP [2].
The symmetry of equation (2) differs from the symmetry of the time-reversible Newton's
equation for MP, because of the presence of the second term on the right-hand side. This term is
different from zero when SP motion in space with the inhomogeneous field of external force whose
scale is comparable with the scale of the SP. It determines the transformation of the energy of the
motion of the SP into its internal energy.
Let us compare the dynamics of MP and SP. While the work of external forces to move the MP
only goes to its acceleration, for the SP the work of external forces goes both to accelerate the SP
and to change of its internal energy. Moreover, if the energy of the motion of the SP is changed due
to the sum of the forces acting on all of its MP, the internal energy varies due to the difference of
these forces.
The motion energy of SP does not depend on internal energy. This allows one to describe
unambiguously the dynamics of SP in two groups of independent micro- and macro variables. In a
non-uniform field of external forces, terms appear that depend on the micro - and macro variables,
which leads to violation of the invariance of the energy of motion. Such a violation of the
invariance of the energy of motion means the irreversibility of the dynamics of the SP. The nature
of the irreversibility of SP is described in detail in [4]. If we neglect the change in the internal
energy, then equation (2) becomes an invertible Newton's equation.
Thus, a description of the irreversible dynamics of the SP is possible only if the structure of the
body is taken into account. In general, the fact that equation (2) is built based on a dual
representation of energy makes it possible to describe the processes of changing the internal energy
of the system as it moves in an inhomogeneous field of forces. This, in turn, allows us to describe
6 ISSN 1811-1165 (Print) ISSN 2413-2179 (Online) Eurasian Physical Technical Journal, 2017, Vol.14, No.2(28)
systems with non-holonomic constraints, which include dissipative systems. Hence, it becomes
possible to substantiate the laws of thermodynamics within the framework of the laws of
fundamental physics. Let us show how and why, relying on the mechanics of SP, one can come to
thermodynamics.
2. As thermodynamics follows from the mechanics of the SP
In the basics of thermodynamics lie empirical principles: the principle of temperature, the
principle of energy (the first principle of thermodynamics); the principle of entropy (the second law
of thermodynamics) and Nernst's postulate (the third law of thermodynamics). If in mechanics, the
parameters of the system are coordinates and velocities, in thermodynamics this is the volume,
pressure, temperature, entropy. The relationship between the thermodynamic parameters and the
parameters of mechanics is established by integrating over the dynamic parameters of the
microparticles that make up the body.
In the basics of thermodynamics lies the thermodynamic principle of energy. It can be written
as follows [3]:
dU Q A (3)
Where U - is the adiabatic potential, Q - is a thermal energy, A - is a work of external forces
to change the volume of the system.
The mechanics of SP in accordance with the PDS is constructed based on the energy of the
system. This energy is a sum of the internal energy and energy of motion. According to the energy
equation of SP [4], the differential of the work of external forces with respect to the displacement of
the SP can be written as follows:
intsp trdU E E , (4)
Where intE - is a change of the internal energy; trE - is a change of the motion energy of SP.
By analogy with thermodynamics, expression (4) is called as the mechanical principle of
energy. While the mechanical principle of energy is the complete work of external forces, the
thermodynamic principle of energy includes only work on changing internal energy. It is equal to
the sum of the work on changing the volume of the body and changing the thermal energy. Hence,
for the adiabatic potential U we have equality U = intE . This is quite natural, since the adiabatic
potential corresponds to the law of conservation of the internal energy of the system.
Let us compare the thermodynamic and mechanical principles of energy. The common thing
for these principles is that they take into account the role of the work of external forces, which is
aimed at changing internal energy. However, there are differences. If the mechanical principle of
energy is the complete work of external forces to move the system and change its internal energy,
the thermodynamic principle includes only work on changing its internal energy. Moreover, this
work is divided into work on changing the volume of the body and work on changing the thermal
energy. That is, the mechanical principle of energy takes into account the complete work of external
forces over the system. Such a definition of the mechanical principle of energy is because it is
dictated by the nature of the violation of the symmetry of the SP time. The violation of the
symmetry of time is associated with a violation of the invariance of the energy of the SP motion
because of its transformation into internal energy. That is, in the mechanics of SP, unlike
thermodynamics, the work of external forces is fully considered, including the work on moving the
system. However, the work on changing internal energy for SP is not divided into work on
changing its volume and its heat, as is done in thermodynamics.
In addition, in the mechanics of SP, the gradient of the external field of forces is taken into
account, due to which a transformation of the energy of the motion of the SP into its internal energy
Nonlinear Physics. 7
.
occurs. In thermodynamics, the potential energy of the entire system, as well as the inhomogeneity
of the field of external forces, as well as the motion of the system in space, are excluded from
consideration [2].
In general, these and other differences in the mechanics of SP from thermodynamics are not of
a qualitative nature, as in the case of Newtonian mechanics for structureless bodies and mechanics
of SP. This is because both in the mechanics of SP and in thermodynamics, structured bodies with
internal energy are studied. Both the mechanics of SP and thermodynamics rely on the ideas of the
molecular-kinetic theory [1]. In addition, although the thermodynamic principles of energy differ
from the mechanical principle of energy, its corresponds to the PDS. Indeed, the work on changing
the volume of the body corresponds to work on moving the SPs, by which the body can be
modeling. In addition, thermal energy is equivalent to the internal energy of each of these SPs.
Consequently, the thermodynamic and mechanical principles of energy in their physical essence
coincide. Therefore, the differences in the mechanical and thermodynamic principles of energy,
which connected, with differences of the parameters, using for analyses of the systems dynamic, are
not an obstacle to the justification of thermodynamics within the fram of the laws of classical
mechanics.
The generality of the mechanics of SP is much higher than the generality of thermodynamics.
Indeed, all the collective parameters characterizing the thermodynamics of a gas can be obtained by
integrating the dynamic parameters of the mechanics of the SP. This makes it possible not only to
justify the laws of thermodynamics within the framework of the fundamental laws of physics, but
also does not exclude the possibility of the development of nonequilibrium thermodynamics that
allows describing nonequilibrium processes in continuous media on the basis of the equations of
mass, energy, momentum, and entropy balance [1, 3].
3. Interrelation of entropy with dynamics
The duality of energy used in SP mechanics allows us to introduce the concept of entropy in it,
as in thermodynamics, by defining it as [4, 5]:
dS =int int/E E (5)
This quantity is called the D-entropy. That is, the D-entropy determines the work of external
forces by changing the internal energy of the system.
Since the NS can be given by a set of SP in motion relative to each other [6], the description of
the dynamics of the NS can be performed within the framework of the mechanics of the SP. In this
case, the tendency of the NS to equilibrium is determined by the transformation of the energy of the
relative motions of the SP into their internal energy.
For a closed NS whose volume and energy are conserved, D-entropy determines the amount of
energy of the relative motions of the SP, which has passed into their internal energy. This process of
transforming the energies of the relative motions of the SP leads to the establishment of
equilibrium. In this case, the D-entropy is equivalent to the Clausius entropy and for it; the analog
of the second law of thermodynamics is valid, i.e. / 0ddS dt .
If we consider the establishment of an equilibrium in an NS composed of SP, then the change
in its A-entropy can be determined as the sum of the entropies of all the SPs that make up the NS.
This can be written as follows [4, 8]:
R
L
N
k Ls k
L
ksL
d L
EdtvFNS1 1
/][ (6)
LE -is internal energy L-SP; L
ksF -is a force, acting on the k -th MP of the SP from the side of
the MP of the other SP; s - is external MPs with respect to L -SP, interacting with its k -i MP; kv -
is a speed of the i-th MP.
8 ISSN 1811-1165 (Print) ISSN 2413-2179 (Online) Eurasian Physical Technical Journal, 2017, Vol.14, No.2(28)
That is, the D-entropy determines the decrease in the energy of the relative motions of the SP
because of its transformation into their internal energy.
The definition of D-entropy is applicable not only for SP, but also for the systems with a small
number of MPs. In this case, the change in the D-entropy of a small system can turn out to be
negative [8]. Numerical calculations have shown that for the D-entropy of systems moving in an
inhomogeneous force field, the minimum number N1 of the number of MPs in the system is exist,
for which the change in the D-entropy can only be positive. In addition, the second number N2 for
the number of MPs in the system is exist also, after which the D-entropy ceases to change with
increasing number of MP, i.e., goes to the asymptotic. This means that for such systems the concept
of Clausius entropy is valid. Consequently, D-entropy allows us to determine the applications of
thermodynamics based on the laws of classical mechanics [9].
Using the mechanics of SP, one can modify the expression for the Boltzmann entropy, which is
determined through the distribution function of the system pf .
The Boltzmann entropy looks like this [1]:
lnB
p pS f f dpdq . (7)
Differentiating the entropy with respect to time, we obtain:
(1 ln )B
p
p
dfdSf dpdq
dt dt . (8)
According to the canonical Liouville equation: / 0pdf dt . Hence / 0BdS dt , which
contradicts the second law of thermodynamics. In the framework of the probability mechanism of
irreversibility, this contradiction is removed by coarsening of the phase space [2]. To do this, we
introduce a coarsened distribution function, defined as follows: ( ) /pF f dГ Г , where Г - is the
region of coarsening of the phase space. For F the expression (8) is not zero. However, such a
definition has a drawback. It is connected with non-certainty Г . Moreover, the nature of such
averaging of the phase space is not known.
Let us show that in mechanics SP the BS is different from zero without coarsening of the phase
space [2]. According to the extended Liouville equation [12], which was obtained in the frame of
the mechanics of SP, we have:
1(1 ln ) ( ) 0
pBT k
p p kk
FdSf f dpdq
dt p
(9)
That is, the Boltzmann entropy follows from the mechanics of SP. Equation (9) corresponds to
the physical meaning of entropy and the second law of thermodynamics. It is not equal to zero
because for NS the value 1
0p
T k
kk
F
p
[12].
The generality of the D-entropy is determined by the fact that the change in the entropy of the
body is determined by integrating the dynamical parameters his elements. The rule of this
integrating is follow from the laws of classical mechanics.
Conclusion
The justification of the laws of thermodynamics within the framework of fundamental laws of
physics became possible only thanks to the found mechanism of irreversibility. The explanation of
this mechanism was obtained in the mechanics of the SP. In the mechanics of the SP, an
equilibrium system is taken as a model of a body from a sufficiently large number of potentially
Nonlinear Physics. 9
.
interacting MPs in the form of the equilibrium system, as well as thermodynamics is built on the
principle of duality of energy, which follows from the PDS. Thus, the substantiation of
thermodynamics in the frame of the laws of the classical mechanics became possible because of
taking into account the structure of the bodies. Thanks to this, we can show that thermodynamics is
a direct consequence of the fundamental laws that lie in the foundations of classical mechanics. This
is the law of inertia, Galileo's principle; Newton’s second and third laws.
According to the mechanics of SP, the second law of thermodynamics is due to the
transformation of the energy of the body's motion into its internal energy. Such absorption takes
place when the bodies move in inhomogeneous fields of external forces. It allowed us to propose in
the mechanics of SP the definition of D-entropy. The D-entropy can be used to modification and
justification of the Boltzmann entropy. This modification is based only on the fundamental laws of
physics, the PDS principle, and following from the generalized Liouville equation. This eliminates
the need to use the hypothesis of coarsening phase space. Previously, without this hypothesis, it was
impossible to explain of this form of the Boltzmann's entropy.
The mechanics of SP can also be useful in the development of thermodynamics itself. For
example, it allows us to evaluate the role of the inhomogeneity of the external force field in the
thermodynamic description of processes. This is also necessary for the development of a
nonequilibrium thermodynamics.
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7 Landau L.D., Lifshitz E.M. Statistical physics, Moscow, Science, 1976, 583 p. [in Russian]
8 Somsikov V.M. Thermodynamics and classical mechanics. Journal of physics: Conference series.
2005, Issue 23, pp.7 – 16.
9 Somsikov V., Mokhnatkin A. Non-Linear Forces and Irreversibility Problem in Classical Mechanics,
Journal of Modern Physics, 2014, Vol. 5, No.1, pp. 17 – 22.
11 Somsikov V. M., Andreev A.B. On criteria of transition to thermodynamic description of system
dynamics. Russian Physics Journal. 2016, Vol. 58, Issue 11, pp.1515 – 1526.
12 Somsikov V. M. The equilibration of an hard–disks system. International Journal of Bifurcation
and Chaos. 2004, Vol. 14, No. 11, pp. 4027 – 4033.
Article accepted for publication 11.10.2017
10 ISSN 1811-1165 (Print) ISSN 2413-2179 (Online) Eurasian Physical Technical Journal, 2017, Vol.14, No.2(28)
UDC 621.762; 536.75
PHYSICAL AND CHEMICAL ANALYSIS OF NONEQUILIBRIUM PROCESSES OF
SYNTHESIS OF NANOSTRUCTURED CONSTRUCTION MATERIALS AND COATINGS
Kheyfetz M.L.1, Vityaz P.A.2, Kolmakov A.G.3, Klimenko S.A.4, Senyut V.T.5
1 «Center» SSPA, National Academy of Sciences of Belarus, Minsk, Belarus, Minsk, Belarus, [email protected]
2 Presidium of the National Academy of Sciences of Belarus, Minsk, Belarus, [email protected] 3 A.A. Baykov Institute of Metallurgy and Materials Science, Russian Academy of Sciences,
Moscow, Russia, [email protected] 4 V.N. Bakul Institute for Superhard Materials, NAS of Ukraine, Kiev, Ukraine, [email protected]
5 Joint Institute of Mechanical Engineering of NAS of Belarus, Minsk, Belarus, [email protected]
The paper testifies that for non-equilibrium processes of synthesis of materials and coatings at
different levels, it is reasonable to extend the basic principles of physicochemical analysis. The
principle of continuity should be complemented by considering the dissipation of energy when
structures and phases are formed. The principles of correspondence and compatibility should be
extended on the basis of fractal representations of geometric patterns and the study of possible ways of
the system evolution. The principles of transformation of fractals under the synthesis of materials
determine the advisability of multifractal parametrization for determining the mechanisms of formation
of nanostructures in multicomponent materials and coatings.
Keywords: nanostructured constructional materials, nonequilibrium process, fractal dimension, fractal parametrization, percolation, multifractal analysis.
Introduction
The synthesis of nanostructured construction materials and coatings implies the maximum use
of technological opportunities for structure control and, as a result, of a complex of structurally
dependent properties and optimization of the operational parameters of alloy quality [1]. Therefore,
the creation and study of the physicochemical bases for controlling the properties of such materials
and coatings during the synthesis process is of great importance at the stage of implementation of
the developed technologies into industrial production [2-4]. Because of the nonequilibrium of high-
speed processes of synthesis of nanostructured materials and coatings, their state diagrams are
metastable [5]. The analysis of state diagrams is complicated by the fact that the processes run
during short time period, in a very limited extent, under high pressure and temperature gradients,
and are accompanied by active impurities and modifiers [6]. As a consequence, in the state
diagrams it is difficult to determine not only the positions of points and lines describing phase
transitions, but also their number, which increases as a result of the formation of intermediate
phases or transition structures.
The aim of the work is to consider basic principles of the analysis of physical and chemical
diagrams for studying nonequilibrium processes of formation of structures and phases of
nanostructured materials and coatings at macro-, meso-, micro- and nanostructured levels as well as
description of the processes of formation of surfaces separating structures, phases and layers of
obtained products with complex micro-, meso-, and macroreliefs.
Nonlinear Physics. 11
.
1. Thermodynamics of nonequilibrium processes.
For the analysis of a closed, equilibrium physicochemical system, the Gibbs phase equation is
intended. At the same time, it is also applicable for an open system, when external flows of energy
and matter are dissipated by dissipative structures. The dissipation function and the entropy
production at absolute temperature T:
= T
= T d/d,
by virtue of the second law of thermodynamics, they increase (0, 0) for time.
Under closed conditions, in the process of evolution with d 0, the system moves towards an
equilibrium state, in which = max, d = 0; in this case, the entropy production does not increase
d 0. In an open system, the evolution condition is preserved d* 0, and the equilibrium
condition assumes = min, d = 0; with the derivative with respect to time: d/d 0.
According to the Prigogine-Glensdorff fundamental theorem, with time evolution to a
stationary state, arbitrary systems with time-invariant boundary conditions satisfy: d0 – the
evolution condition; d = 0 – stationarity condition; 0 – the stability condition.
As a result, the Gibbs equation with restrictions with respect to the production of entropy,
according to the Prigogine-Glensdorff theorem, allows us to consider open nonequilibrium systems.
2. Fractal dimension of a dissipative system.
Due to the sensitive dependence on the initial conditions (SDIC), the state of the
physicochemical system can be rationally represented as an attractor. The SDIC requires the
dimension of an attractor satisfying the inequality for the number of degrees of freedom, C 2. At
the same time, in order to have an SDIC, a three-dimensional flow in the phase space should
provide C 3, since in the case of a dissipative system volumes in the phase space decrease in the
course of time. An attractor that can represent a chaotic regime should be so that the inequality
2C3 holds. The attractors satisfying this inequality have a non-integer fractal dimension.
Thus, it is fair to say that a dissipative dynamical system can become chaotic if the dimension
of the phase space is greater than two. As a result, in order to avoid unpredictability of the mode of
behavior of deterministic energy and matter flows during their dissipation, the system should be
provided with less than three degrees of freedom.
3. Fractal parameterization and percolation
The description of structures in the synthesis of structural materials and coatings until recently
has been based on their representation by geometric objects with integer dimensions. Justified in a
number of cases, such approaches are insufficient to describe systems with a complex and
heterogeneous structure, such as nanoprocesses and nanomaterials.
One of the promising ways of quantitative description of the structures of materials and their
surfaces is parameterization, based on the use of fractal theory. Fractals are used to generate objects
of a quasi-periodic character, and their use allows modeling irregular in time and space processes or
those of chaotic character. The theory of fractals reflects well the specific structure of clusters and is
promising for describing the properties of highly heterogeneous materials.
In its initial formulation, it is similar to the theory of percolation, designed to describe the
behavior of systems near topological phase transitions. Typically, a percolation model is considered
for a lattice system in which nodes or bonds are selected with a probability of x. At small x, the
separated nodes are mostly isolated, but with their increasing concentration, there appear clusters
12 ISSN 1811-1165 (Print) ISSN 2413-2179 (Online) Eurasian Physical Technical Journal, 2017, Vol.14, No.2(28)
i.e. groups of connected separated particles. With further growing x, the aggregation become
avalanche-like and occurs simultaneously according to several schemes:
particle – particle, particle – cluster, and cluster – cluster.
The most important characteristic of a percolation system is the percolation threshold, passing
through which the quantity transforms into quality; and in a system of selected nodes the
connectivity caused by the appearance of a percolation hypercluster becomes global.
4. Multifractal analysis of structures
Self-similar dissipative structures cannot be easily analyzed on the basis of the study of
geometric self-similarity alone using the value of a fractal dimension. All structures are considered
as potentially multifractal with some degree of adequacy of the application of the multifractal
description. The basis of the multifractal approach to the quantitative description of structures is the
construction, using one way or another, of a measure of the set approximating the structure under
study. Dividing the Euclidean space covering the structure under study into units, each unit can be
assigned its own measure (weight) according to the feature of the object (mass fraction, area,
energy, etc.).
According to theoretical and experimental studies, for quantitative parameterization it is
expedient to use such multifractal characteristics as generalized entropies (dimensions) of Renyi Dq
and effective quantitative characteristics of homogeneity fq and ordering q. Based on the change
in these characteristics it is possible to obtain additional information on the rates of the processes of
structure formation, the change in the mechanisms of formation of structures, etc.
5. Transformation of fractals on the interfaces
The analysis of fractal dimensions at a change in the base and increase in its complexity, made
it possible to form basic principles of transformation of fractals, their percolation and degeneration
in the formation of interfaces of structures, phases and layers of a product.
From the structural-energy standpoint, an expedient sequence of stages in the development of
interfaces of structures, phases and layers is determined: the growth of surface fractal structures; an
increase in the number of elements of the fractal basis; complication of fractal meanders;
percolation of layers at the interface; degeneration of fractals. In this case, the change in the
mechanisms of transformation of interfaces in the material due to the complication of fractals,
through their percolation to degeneracy, as a result of multiscale aggregation, at all stages is
accompanied by both fractal growth and an increase in the number of basic elements, and by the
possible complication of fractal meanders.
Conclusion
To study the nonequilibrium processes of synthesis and application of materials and surfaces of
a product at macro-, meso-, micro- and nanostructured levels, it is advisable to extend the basic
principles of physicochemical analysis:
continuity – by considering energy dissipation in the formation of structures and phases;
correspondence – by fractal representations of geometrical images;
compatibility – by studying possible ways of evolution of the system.
The development of the principles of physical and chemical analysis makes it possible to
analyze quantitatively the transient processes and structures described by non-integer values of the
D – degrees of freedom of the system and the multifractal parameters of the F– forming phases.
Nonlinear Physics. 13
.
ACKNOWLEDGEMENTS
Работа выполнена при финансовой поддержке Белорусского республиканского и Российского фондов фундаментальных исследований (код проекта Т16Р-176).
The work was supported by the Belarusian Republican and Russian Foundations of Basic Research (project code T16R-176).
REFERENCES
1 Vityaz P.A., Ilyushchenko A.F., Kheifets M.L., Chizhik S.A., Solntsev K.A., Kolmakov A.G.,
Alymov M.I., Barinov S.M. Technologies of construction nanostructured materials and coatings. Minsk,
Belarusian Science, 2011, 283 pp.
2 Vityaz P.A., Zhornik V.I., Kukareko V.A., Komarov A.I., Senyut V.T. Modification of materials and
coatings with nanoscale diamond-containing additives. Minsk, Bel. Sc., 2011, 522 p.
3 Alekseeva Yu.S., Kobeleva L.I., Kolmakov A.G. et al. Preparation of gradient composite materials
by the method of centrifugal casting. Mechanical engineer. 2016, No. 1, pp. 35-38.
4 Heifets M.L. Designing the processes of combined processing. Moscow, Mechanical Engineering,
2005, 272 р.
5 Heifets, M.L. Synergetic analysis of the structure formation in metals under thermal, deformation
and combined effects. Reports of NAS of Belarus. 2014, Vol. 58, No. 3, pp.106-111.
6 Anosov, V.Ya., Ozerova M.I., Fialkov Yu.Ya. Fundamentals of physical and chemical analysis.
Moscow, Science, 1976, 504 p.
Article accepted for publication 25.10.2017
14 ISSN 1811-1165 (Print) ISSN 2413-2179 (Online) Eurasian Physical Technical Journal, 2017, Vol.14, No.2(28)
UDC 537.86; 538.956; 517.912; 517.38
TOTAL HARMONIC DISTORSIONS IN AN OSCILLATORY CIRCUIT
WITH A FERROELECTRIC CAPACITOR WITH NEGATIVE
CAPACITANCE
Kostromina O.S1., Potapov A.A.², Rakut I.V.¹, Rassadin A.E.³
¹Lobachevsky State University of Nizhny Novgorod, Nizhny Novgorod, Russia, [email protected]
²Kotel’nikov Institute of Radio Engineering and Electronics of RAS, Moscow, Russia, [email protected]
³Scientific and Technical Society of Radioengineering, Electronics and Communication
named after A.S. Popov, Nizhny Novgorod, Russia, [email protected]
An oscillating circuit including as a capacitor a two-layer ferroelectric structure exhibiting negative
capacitance is considered. It is shown that the charge of such capacitor is described by the Duffing
equation with a homoclinic figure of “eight”. The dependence of the nonlinear distortion coefficient with
respect to the voltage across the two-layer structure on the electromagnetic energy stored in the circuit is
calculated. The asymptotics of the coefficient near the homoclinic figure of eight is determined. The
orders of the physical quantities in the circuit are estimated.
Keywords: integrated ferroelectrics, Landau’s theory of second-order phase transition, Jacobi functions, elliptic integrals, Fourier series, Parseval equation.
Introduction
Since the end of the last century, intensive researches within the framework of a new
interdisciplinary scientific field have been globally carried out. This research area combines active
dielectric materials with microelectronic production technologies. The field, called "integrated
ferroelectrics", makes it possible to create a new generation of the elemental base of modern radio
electronics, based on nonlinear effects in such compounds [1]. We should especially note that the
market for devices based on such elements is not determined by records in achieving minimum
topological standards due to the level of development of lithographic methods, but by the totality of
our knowledge in the formation of a ferroelectric module [1].
A new drive in the development of integrated ferroelectrics is the discovery of two-layer
ferroelectric systems exhibiting negative capacitance [2, 3] at room temperature. We will call such
systems with negative capacitance NC capacitors. The voltage across the NC capacitor is related to
q charge at its plates by the expression:
3qqU , (1)
which follows from the theory of ferro electricity developed by V.L. Ginzburg in [4] within the
framework of Landau’s theory of second-order phase transitions.
The parameters and , incorporated in the formula (1), are considered positive and depend
both on the properties of the materials forming the ferroelectric pair and ensuring the
thermodynamic stability of the negative capacitance effect, and on the geometry of the NC
capacitor [2, 3]. For the NC capacitor obtained in the experiments described in [2], 11010~ Êë and 329105,0~ Êë .
This article continues started in [5] analysis of the processes of NC capacitors functioning in
radio engineering generators of various types. Namely, the main element of such generators that is
an oscillating circuit with a NC capacitor is described here.
Modeling of the Nonlinear Physical-Technical Processes. 15
.
1. The solution of the equation of motion for an oscillating circuit with a NC capacitor and the coefficient of nonlinear distortion for the first harmonic
The electric network of the oscillating circuit with a NC capacitor is shown in Fig. 1. Applying
the second Kirchhoff law to it and using the formula (1), we obtain an ordinary differential equation
for q charge of the NC-capacitor:
03
2
2
qqdt
qdL , (2)
where L is the inductance value of the circuit.
Fig.1. An oscillating circuit with a NC capacitor
Equation (2) is the Duffing equation with a homoclinic eight [6]. We make it dimensionless by
introducing new variables:
tL
, qx
(3)
as well as dimensionless energy in the circuit:
2
Hh , (4)
where 422
40
20
20 qqIL
H
is the total energy in the circuit, which is preserved in
consequence of equation (2), 0q is the charge at the NC capacitor and 0I is the current in terms of
the inductance at the initial instant of time.
The typical scale of energy in the circuit is 1~2 nJ. In variables (3), the equation (2) is
written as follows:
03 xxx , (5)
where the point above the dimensionless charge x means its differentiation with respect to the
dimensionless time .
The solutions of the Duffing equation are expressed in terms of Jacobi elliptic functions [6],
namely, in case that 041 h the solution of equation (5) is [6]:
1
1
1 ,)(2
)( kT
kdnAx
, (6)
where hhA 411)( , ))(11(2)( 21 hAhk , )())((22)( 11 hAhkhT is the
dimensionless period of oscillations of a dimensionless charge at negative energy, and in the case
that 0h the solution of equation (5) is [6]:
16 ISSN 1811-1165 (Print) ISSN 2413-2179 (Online) Eurasian Physical Technical Journal, 2017, Vol.14, No.2(28)
2
2
2 ,)(4
)( kT
kcnAx
, (7)
where )(1)( 12 hkhk , 1)())((4)( 222 hAhkhT is the dimensionless period of
oscillations of the dimensionless charge at positive energy. In both formulas (6) and (7) the starting
point is chosen so that at that moment the current in the circuit is zero; and )(k means a complete
elliptic integral of the first kind [7]:
1
0222 )1()1(
)(wkw
dwk . (8)
Further, the dimensionless voltage at the NC capacitor is:
)()()( 3 xxu . (9)
The graphs of dependence on the dimensionless voltage time (9) at the NC capacitor under
negative and positive energy, constructed using formulas (6) and (7) are shown in Fig. 2. These
graphs show that the voltage at the NC-capacitor is essentially anharmonic.
Fig. 2. Time dependence of the dimensionless voltage at the NC capacitor:
on the left for h= - 0.05, on the right for h=1.2
In order that the circuit in Fig. 1 could be used in radio engineering, we should define the
anharmonicity of the voltage quantitatively. The generally accepted parameter for estimating the
anharmonicity of oscillations is the coefficient of nonlinear distortions (CND) with respect to the
first harmonic [8]:
2
2
1
)()(
1)(
n
nu huhu
hK , (10)
where )(hun ( Nn ) are the amplitudes of Fourier harmonics of the dimensionless voltage (9).
2. Fourier series for voltage at the NC capacitor
In consequence of equation (5) )()( xu , therefore, to determine the quantities )(hun , first
we expand the solutions of (6) and (7) in Fourier series. The application of the theory of Jacobi
elliptic functions [7] gives us for 041 h :
Modeling of the Nonlinear Physical-Technical Processes. 17
.
)(
2cos)()(),(
11
0hT
nhxhxhx
n
n
, (11)
where
))((2
)()(
10
hk
hAhx
,
))](([
)(2)(
1
0
hknch
hxhxn
, (12)
and for 0h :
)(
)12(2cos)(),(
21hT
nhxhx
n
n
, (13)
where
))](([
]2))((exp[
))(()(
)()(
2
2
22 hknch
hk
hkhk
hAhxn
. (14)
In the expressions (12) and (14) the parameter depends on the k modulus of elliptic
functions as follows: )()1()( 2 kkk
Fig. 3. Spectral components of the dimensionless voltage at the NC capacitor:
on the left for h=-0.05, on the right for h=1.2
The Fourier series for the stress (9) is obtained by twice differentiating with respect to
expansion time (11) and (13), in particular for 041 h :
)(
2cos)(),(
11hT
nhuhu
n
n
, (15)
where
)()(
2)(
2
1
hxhT
nhu nn
, (16)
and )(hxn are the Fourier coefficients (12) for the charge.
Similarly for 0h :
18 ISSN 1811-1165 (Print) ISSN 2413-2179 (Online) Eurasian Physical Technical Journal, 2017, Vol.14, No.2(28)
)(
)12(2cos)(),(
21hT
nhuhu
n
n
, (17)
where
)()(
)12(2)(
2
2
hxhT
nhu nn
, (18)
and )(hxn are Fourier coefficients (14) for the charge.
The graphs of the spectral components of the dimensionless voltage (9) at the NC capacitor
under negative and positive energy, constructed using formulas (16) and (18), for the same energy
values as in Fig. 2 are shown in Fig. 3.
Since for any of the expansions (15) or (17) Parseval's equality is valid:
1
2
0
2 )(),(2
n
n
T
hudhuT
, (19)
then we can rewrite the expression (10) for CND as follows:
12)(21
2
u
uhKu , (20)
where the bar over the letter indicates the operation of averaging with respect to the oscillation
period T :
duT
u
T
0
22 1. (21)
The average value (21) can easily be calculated using the expression (9):
6422 2 xxxu . (22)
Thus, the calculation of the CND was reduced to the determination of the average values lx 2
( 3,2,1l ) of the degrees of the dimensionless charge, and formulas (16) and (18) were simply
necessary for determining the amplitude of the first harmonic )(1 hu .
3. Calculation of average values over a period for even degrees of charge
Using formula (6), for the case that 041 h we find:
dkT
kdnA
Tx l
T
ll
11
12
0
2
1
2 ,)(21
1
, 3,2,1l . (23)
On inserting
1
1
1 ,)(2
kT
ksnw
the averages (23) reduce to the following integrals:
1
022
12
221
1
22
)1()1(
)1(
)( wkw
dwwk
k
Ax
lll , 3,2,1l . (24)
Modeling of the Nonlinear Physical-Technical Processes. 19
.
In their turn, the integrals in formula (24) are represented by linear combinations of elliptic
integrals:
1
0222
2
)1()1()(
wkw
dwwkI
l
l . (25)
In case that 2l these integrals follow the recurrence relations [9]:
0)32()1()22()12( 2122 lll IlIklIkl . (26)
Since the initial conditions for the difference equation (26) are known: )()(0 kkI ,
21 )]()([)( kkkkI , where )(k denotes the complete elliptic integral of the second kind [7]:
dww
wkk
1
0
2
22
1
1)( , (27)
Then
4
22
23
)()1(2)()2()(
k
kkkkkI
,
6
4242
315
)()878()()438()(
k
kkkkkkkI
, (28)
and, using the formulas (24)-(28), we find the required average values lx 2 :
)(
)(
1
122
k
kAx
,
)(
)()2(21
3 1
121
21
44
k
kkk
Ax ,
)(
)()82323()32(4
15 1
141
21
41
21
66
k
kkkkk
Ax . (29)
Finally, combining formulas (16), (22) and (29), we calculate the CND (20) for the
dimensionless energy lying in the interval 041 h .
The situation when the dimensionless energy 0h is considered in complete analogy. Using
the formula (7), for average values of even powers of the dimensionless charge, we obtain:
dkT
kcnA
Tx l
T
ll
22
22
0
2
2
2 ,)(41
2
, 3,2,1l . (30)
On inserting
2
2
2 ,)(4
kT
ksnw
, the averages (30) reduce to the following integrals:
1
022
22
2
2
22
)1()1(
)1(
)( wkw
dww
k
Ax
lll , 3,2,1l , (31)
and are equals:
20 ISSN 1811-1165 (Print) ISSN 2413-2179 (Online) Eurasian Physical Technical Journal, 2017, Vol.14, No.2(28)
)(
)(1
2
2222
2
22
k
kk
k
Ax ,
)(
)()12(2352
3 2
222
42
224
2
44
k
kkkk
k
Ax ,
)(
)()82323(8273415
15 2
222
42
22
42
626
2
66
k
kkkkkk
k
Ax . (32)
CND (20) for dimensionless energy 0h is obtained by combining formulas (18), (22) and
(32).
4. Graph of the nonlinear distortion coefficient and its asymptotics near the homoclinic eight
The final expression for CND is rather cumbersome; therefore, in Figure 4 the CND graph is
presented.
Fig. 4. The coefficient of nonlinear distortion depending on the energy h
Fig. 4 shows that 0)41( uK . This is natural, since the Duffing equation (5), linearized near
the equilibrium state 1x , corresponding to the value 41h , reduces to the harmonic oscillator
equation, whose solution, as it is well known, does not incorporate higher harmonics.
For large values of energy 1)( hKu , that is, for 1h , the squared amplitude of the first
harmonic of the voltage (17) at the NC capacitor is approximately equal to the sum of the squared
amplitudes of higher harmonics.
The nature of the CND inversion to infinity as the phase trajectory of Equation (5) approaches
the homoclinic eight corresponding to the value 0h , can be easily determined from the following
considerations: in case that 0h the oscillation period )(hT [6]. This means that when
0h the squared voltage (9) at the NC capacitor can be calculated with respect to the charge
chx 2)( at the homoclinic loop. In formula (21) the integration can be extended to infinity
and the figure of one in expression (20) can be neglected.
Thus, we get that near the zero energy the CND is:
10,16
ln15
7
2
1
10,||
16ln
30
7
4
1
)(25
3
25
3
hh
hh
hKu
. (33)
Modeling of the Nonlinear Physical-Technical Processes. 21
.
Finally, since in accordance with the second of formulas (3) the dimensional voltage (1) at the
NC capacitor is )()(21
23
utU , then the value (10) (or (20)) is the CND for the dimensional
voltage (1) as well and it can be measured by existing network analyzers. The characteristic
quantity of the dimensional voltage in the circuit Â5~2123 .
Conclusion In the paper, using the technique of calculating average values over oscillation period with
respect to even powers of the solution of the Duffing equation (5), the authors investigated the
dependence of the CND in terms of the voltage in the oscillating circuit with the NC capacitor on
the energy stored in the circuit. It is necessary to know the average values (25) not only for
analyzing the dependence of CND (20) on dimensionless energy h . Using the formulas (29) and
(32), it is possible to determine other averages, for example, the average value of the electric energy
in the NC capacitor, and the CND with respect to current, etc. By the developed above method for
determining the averages over a period, the CND with respect to the voltage and current in
oscillatory circuits with other nonlinear elements, such as a single-layer ferroelectric capacitor with
an operating temperature above its Curie temperature, the blocked p-n junction of a semiconductor
diode etc. can be calculated.
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RHD, 2005, 420 p.
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10 Kostromina O.S., Potapov A.A., Rakut I.V., Rassadin A.E. The coefficient of nonlinear distortion on
account of voltage in an oscillating circuit with a ferroelectric capacitor with negative capacitance.
Proceedings of the 10th
Int. Scientific Conf. «Chaos and Structures in Nonlinear Systems. Theory and
Experiment», devoted to the 75th anniversary of Prof. Z. Zhanabaev. Almaty, al-Farabi Kazakh National
University, 2017. pp. 315 – 320.
Article accepted for publication 15.09. 2017
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UDK 537.86/87:530.182
PATTERN LOBES AND BEAM WIDTHS OF A NOVEL FRACTAL ANTENNA
Karibayev B.A., Zhanabaev Z.Zh., Temirbayev A.A., Imanbayeva A.K., Namazbayev T.A.
IETP, al Farabi Kazakh National University, Almaty, Kazakhstan, [email protected]
Important element of any transceiving wireless devices are antennas, form of which influences on the
quality of transmission and reception of information. These systems require multirange, broadband antennas
that are small in size. In this paper experimental results on the determination of the radiation pattern of a
novel small-size fractal antenna of based on an anisotropic curve are described. The fractal structures on the
basis of which the antennas are built have self-similarity properties and are characterized by scaling effects.
All this provides unique in comparison with standard types of antennas characteristics of uniformity of the
radiation pattern over a wide range of frequencies while minimizing (5-10 times) the linear dimensions of
the antennas, which is especially important for long-distance communication bands. The antenna beamwidth
is the angular width expressed in degrees which is measured on the major lobe of the radiation pattern of an
antenna. We present the experimental results for determining the width of the prototype pattern of the
anisotropic fractal antenna. We used the software and hardware complex that we created. An anisotropic
fractal antenna was used as the radiating antenna.
Keywords: Radiation pattern, fractal, antenna, anisotropic curve, software, LabVIEW, experiment.
Introduction
Fractal antennas are available in multiband and broadband configurations [1-3]. This allows
them to work effectively with all existing and future wireless standards. Fractal antennas are
universal points of view of multifrequency, and have excellent amplification. They are small
enough and easily get into almost any wireless device on the market. The available broadband
properties of fractal antennas are also optimal from the point of view of information protection. The
theory of fractal antennas is at the stage of formation at present days. Researchers experimentally,
by trial and error, try to apply known geometric fractals to antenna designs. We use a new fractal
curve, called the anisotropic fractal [4] in our work. This fractal structure has several advantages
over classical fractal curves. The properties of the antenna based on an anisotropic curve are
described in detail in our articles [5-6]. The electrodynamic characteristics of the anisotropic
antenna we were studied using the High Frequency System Simulator software (Ansoft HFSS).Here
we present the experimental results on the determination of the width of the anisotropic antenna
pattern.
1. Antenna pattern
Any antenna has a property of concentration (focusing) of the energy of electromagnetic waves
emitted by it in a certain area of space. Special characteristics and parameters of the antenna are
used to describe its directed properties. Patterns of the field intensity and the power flux density of
the transmitting antenna are related to the characteristics of the antenna. The width of the radiation
pattern, the level of the side lobes of the diagram, the directivity factor, the efficiency of the antenna
are related to the parameters of the antenna. The concept of directivity gives a special parameter the
amplitude characteristic of the directivity. It is defined as the dependence of the amplitude of the
intensity of the antenna field emitted by the antenna (or a quantity proportional to it) from the
direction in space with an unchanged distance to the observation point M (Fig.1). The direction is
Modeling of the Nonlinear Physical-Technical Processes. 23
.
given by the meridional (θ) and azimuthal () angles of the spherical coordinate system. We
obtained the directivity patterns of the antennas in question with a step of 100 MHz in the frequency
range from 0.1 GHz to 2.7 GHz. The results are given in the paper [6]. The results of our work are
also widely used in reading special courses [7] for students of the Department of Physics and
Technology Al Farabi Kazakh National University.
Any diagram in space is a closed surface, the distances to all points of which from the origin of
the chosen coordinate system are proportional to the values F(θ, φ). F(θ, φ)is the function describes
the amplitude response characteristic. The image of the spatial pattern of the antenna is difficult on
the plane in both spherical and rectangular coordinate systems in practice, because some parts of the
spatial pattern shade each other. Therefore, the sections of the volume diagram are represented by
two mutually perpendicular planes: vertical (for which φ = const) and horizontal (for which θ = π/2)
(Fig. 2). The pattern of real antennas has many lobe character. The width of the main lobe
determines the degree of concentration of the emitted electromagnetic energy. The width is the
angle between the two directions within the main lobe, in which the amplitude of the
electromagnetic field strength is a level of 0.707 of the maximum value. The width of the diagram
at the half-power level is 2𝜃0.5 and the zero-radiation level is 2𝜃0 usually.
Fig.1. Graphical representation od the antenna
pattern in a spherical coordinate system.
Fig.2. Cross-sectional area of the antenna pattern.
The value 2𝜃0.5 will correspond to the angle between the directions, where 𝐹2(𝜃) =(0.707)
2=0.5
for a power directivity pattern. The value 2𝜃0 corresponds to the angle between two directions of
the radiation pattern, at the boundaries of which the field strength drops to zero values.
2. Experimental results and discuss
We created a software-hardware complex. We took into account all the necessary requirements
for the creation of such complexes [8-9]. The hardware and software complex consists of a high-
frequency generator NI PXIe 5652, fractal antennas of various types used as a transmitting antenna,
a horn antenna as a receiving antenna; the Agilent N9340b spectrum analyzer, the interface
implemented in the LabVIEW software. Here we give only the experimental results for determining
the width of the directional pattern of the experimental sample of an anisotropic fractal antenna. The
anisotropic fractal antenna is taken as a radiating antenna. The antenna pattern was displayed in a
specially developed interface in the LabVIEW software. The signal was fed from the NI PXIe
generator with a frequency of 2.8 GHz. The transmitting antenna was rotated automatically at a 5-
degree step using a rotary system based on the Atmega microcontroller. Figure 3 shows the
installation.
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Fig.3. Block scheme of the experimental setup.
The program sheet, which is embedded in the controller, is shown in Figure 4.The stationary
horn antenna after reception of radio waves transmits via a matched feeder (50 Ω) to the spectrum
analyzer. The radiation pattern is displayed in the interface windows in the polar coordinate system.
Fig.4. Anisotropic antenna with rotary system and program code
The scheme of the developed interface is shown in Figure 5. It is a set of virtual instruments,
which makes it possible to obtain the directivity patterns of a horn antenna of a given frequency.
The module, located in the upper left corner of the block diagram, iterates through the processing of
data that enters the central module. Here, the parameters of the signal coming from the microwave
antenna are analyzed. By converting the signal spectrum in a given cycle, the received data is
delivered directly to the interface of the complex in real time. The module located on the right-hand
side of the circuit is responsible for displaying the data acquisition in the interface.
Modeling of the Nonlinear Physical-Technical Processes. 25
.
Fig.5. Block diagram of the interface of the hardware and software complex
Figure 6 shows the antenna pattern obtained experimentally. Here we can determine the width
of the main lobe. It is approximately 48-50 degrees in our case.
Fig.6. Antenna pattern and beam width of the main lobe
48°
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There are slight distortions in the data obtained, but thanks to the high efficiency of the horn
antenna, it was possible to obtain a directivity diagram as close as possible to theoretical indices.
The radiation pattern of the fractal antennas differs by the polarity of the radiation, that is, the
direction of the radiation changes during the transition.
Conclusion
The antenna based on the anisotropic fractal is more directed and focused, and the degree of
concentration of the emitted electromagnetic energy is much larger than that of the selected other
models, this is evidenced by the antenna pattern.
Also, we show what dipole fractal antenna based on an anisotropic geometric fractal has a
multi-frequency property unlike standard half-wave vibrators and has better characteristics than
other fractal antennas [10].
Acknowledgment
This work has been supported by the Ministry of Education and Science of Kazakhstan. Grants No.3837/GF4.
REFERENCES
1 Ghatak R., Poddar D.R., Mishra R.K. A moment-method characterization of V-Koch fractal
dipole antennas. Int. J. Electron. Commun. (AEU). 2009, Vol. 63, pp. 279 –286.
2 Tank M.V., Amipara M.D. Design of Fractal Antenna for GSM Phone Applications.
International Journal of Engineering Research & Technology (IJERT). 2014, Vol. 3, Issue 3, pp. 430 – 433.
3 Altaf A., Yang Y., Lee K.-Y., Hwang K.C. Circularly Polarized Spidron Fractal Dielectric
Resonator Antenna. IEEE antennas and wireless propagation letters. 2015, Vol. 14, pp. 1806 – 1809.
4 Zhanabaev Z.Zh. Fractal model of turbulence in the jet. Izvestia SB Acad. Sciences USSR,
Technical science series. 1988, Vol.4 (15), pp. 57 - 60. [in Russian]
5 Temirbayev A.A., Imanbayeva A.K., Karibayev B.A., Namazbayev T.A., Kapurnova S.T.,
Tleubayeva I.S. Investigation of planar fractal antennas. KazNU Bulletin. Physics series. 2016, Vol. 3 Issue
58, pp. 80 – 92. [in Russian]
6 Temirbayev A.A., Namazbayev T.A., Imanbayeva A.K., Markhabayev M.A., Kapurnova S.A.
Investigation of the electrodynamic properties of an anisotropic fractal antenna. Proceedings of the Intern.
scientific and technical. Conf. “Perspective Information Technologies (PIT 2016)”. Samara: Ed. Samara
Scientific Center of the Russian Academy of Sciences, 2016, pp. 953 – 957. [in Russian]
7 Imanbayeva А.К., Zhanabayev Z.Zh., Saymbetov A.K. Features of formation of the curriculum
on a specialty "Radio Engineering, Electronics and Telecommunications". Proceedings of the Intern. Conf.
ICERI 2016. Spain, 2016, pp. 3449 – 3454. doi: 10.21125/iceri.2016.1815
8 Zhukeshov А.M., Gabdullina A.T., Amrenova A.U. The vacuum system for technological unit
development and design. Journal of Physics Conference Series, USA: Iop publishing ltd. 2015, Vol.652
Issue 12062, pp. 1 – 5.
9 Zhukeshov А.М., Gabdullina A.T., Amrenova A.U., Moldabekov Zh., Fermakhan K.
Development of a Virtual Laboratory for Investigating the Interaction of Materials with plasma. J. Lecture
Notes in Computer Science, LNCS9254. 2015, pp. 475 – 481.
10 Zhanabaev Z.Zh., Karibayev B.A., Namazbayev T.A., Imanbayeva A.K., Temirbayev A.A.,
Ahtanov S.N. Fractal antenna with maximum capture power. Proceedings of the 6th Intern. Conference on
Telecommunications and Remote Sensing - ICTRS'17. Delft, Netherlans. 2017, pp. 17 – 21.
Article accepted for publication 20.11.2017
Modeling of the Nonlinear Physical-Technical Processes. 27
.
UDC 538.9
COMPUTER MODELLING AND DESCRIPTION OF STABLE
MOLECULAR CLUSTER FORMATION DYNAMICS IN DISPERSION
MATRIX USING MULTIFRACTAL ANALYSIS
Karstina S.G.
Karaganda State University named after the academician E.A. Buketov, Karaganda, Kazakhstan
The paper presents the results of computer simulation of the processes of energy transfer of
electronic excitation and annihilation in dispersed molecular matrices. The dispersed molecular
matrices with different types of initial distribution of interacting molecules had been investigated.
Multifractal analysis of the distribution of interacting molecules in the matrix under study at various
time intervals of kinetic dependencies was done. It was shown the formation of stable molecular
structures in the transfer of electron excitation and annihilation energy leads to a change in the
generalized fractal dimensions, the order parameter, and the information entropy. The values of these
parameters are influenced by the temperature of the matrix, the initial distribution of interacting
molecules, the number of cluster nodes.
Keywords: heteroannihilation, electronic excitation, cluster, multifractal analysis, disperse matrix, orderliness, possibility interrelation, donor-acceptor pair, transfer of electronic excitation energy, fractal dimension, order parameter.
Introduction
Investigation of the influence of the structural organization of dispersed molecular matrices on
the nature of the photophysical processes taking place in them, and, first of all, the processes of
electron energy transfer, is a topical task of modern condensed-state physics. As it is known, in the
conditions of external influences in the exchange of the system with the environment, energy,
matter and information [1] in the dispersive matrices, spatial and / or time structures are formed.
The formation of molecular structures and interactions between them lead to a change in the
physicochemical properties of the matrix as a whole, and, accordingly, to a change in the dynamics
of the processes occurring in it and the dynamic properties of the final structures [2-5]. The changes
occurring in the structure of dispersed matrices as a result of the intermolecular interactions taking
place in it can be judged from the change in the kinetics of the luminescence. At the same time, an
important addition to the experimental results can be the results of computer simulation and
multifractal analysis, which allow obtaining numerical characteristics of the molecular structures
formed in the system.
1. Methodics of modelling
When studying the dynamics of the formation of molecular structures in dispersed matrices
during the transfer of electron excitation energy and annihilation, we used a surface model based on
a planar square lattice measuring 500*500, representing a set of nodes and bonds. Modeling of
annihilation was carried out in the temperature range of the matrix from 193K to 273K with the
probability of interaction of 100% corresponding to the instantaneous reaction in donor-acceptor
pairs with a size equal to one interstitial distance. The computational experiment was carried out at
different degrees of surface coverage by the donor (ζ1) and acceptor molecules (ζ2) (from ζ = ζ1 =
ζ2 = 0.4% to ζ = ζ1 = ζ2 = 0.8%), which allowed modeling to take into account the transfer
electron excitation energy from the dono subsystem to the annihilation event.
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Investigation of the formation conditions of molecular structures was carried out at the initial
cluster, chaotic and multifractal distributions of donor molecules in the simulated matrix. The
concept of molecular connectivity in the theory of dynamic percolation [7, 8] is based on the model
of the cluster distribution of donor molecules over the surface [6]. When generating the cluster
distribution in the model proposed by us in accordance with the given degree of coverage of the
modeled surface, the number of randomly distributed disjoint connected clusters was specified. The
number of molecules in the cluster S (cluster size) changed from Smin = 1, which corresponded to
the single-particle distribution, up to Smax = 1000 - for the degree of coverage ζ = 0.4% and Smax =
2000 - for the coverage ratio ζ = 0.8% corresponding to the maximum possible number of
molecules in the cluster. The distribution of the acceptor molecules over the simulated surface for
all types of the initial distribution of the donor molecules was given randomly.
Multifractal parametrization of structural characteristics of the investigated molecular matrix
was carried out through discrete time intervals, determined by the number of iterations N [8]. The
physical meaning of the concept of iteration used in the work allows us to consider iteration as a
quantity proportional to time and to analyze the kinetic dependencies in conditional time units.
2. Results and discussion
The efficiency of intermolecular interaction processes in a dispersed molecular matrix depends
on the fractality of molecular clusters and their mutual arrangement, which is explained by the
"anomalousness", in comparison with euclide structures, of transport and annihilation processes [9-
12]. The formation of molecular structures leads to a change in the intermolecular distances, the
relative orientation and relative motion of the interacting molecules, and, consequently, to a change
in the probability of intermolecular interactions [13] and the development of several kinetic regimes
simultaneously [14]. The predominance of any of these regimes is determined by local
intermolecular interactions that discourage the system from spatial uniformity. Conversely, an
increase in the efficiency of transport processes with an increase in the temperature of the matrix
and an increase in the number of mixed pairs of interacting molecules with a decrease in cluster size
lead to a rapid destruction of fluctuations in the medium. As a result, the distribution of interacting
molecules in the matrix under study can be considered to be homogeneous, and, accordingly, the
kinetic dependences can be described on the basis of a simple formal-kinetic approach.
Using the method of multifractal analysis, the values of generalized Renyi fractal dimensions
Dq and the order parameter Δ characterizing the changes in the structural organization of the
molecular matrix and depending on the efficiency of intermolecular interactions taking place in the
system are calculated in the work. A detailed analysis of the obtained values has shown that the
transfer of the energy of electron excitation and hetero annihilation lead to a change in the
generalized fractal dimensions. Moreover, the ordering of the entire system is violated, as evidenced
by the differences in the left branches of the spectrum of the generalized fractal dimensions Dq (q
<0). The observed changes in the spectra of the generalized fractal dimensions in the transfer of the
electron excitation and hetero annihilation energy make it possible to infer the formation of local
molecular ordered structures (clusters) in matrices with initial multifractal and chaotic distributions,
within which the order is preserved, but in this case the ordering of the entire system is violated,
which is consistent with the literature data [15, 16].
It is established that for a cluster distribution of donor molecules, the generalized fractal
dimensions remain constant throughout the time interval under consideration. Consequently, while
the distribution of donor molecules retains a cluster character, the intermolecular interactions that
occur on the surface do not lead to a change in the fractal properties of the matrix, and, accordingly,
to a change in the parameters of inhomogeneity and ordering. For similar interactions in matrices
with a single-particle distribution of the donor molecules, the generalized fractal dimensions vary
linearly, and for chaotic distribution, they are graded according to a power law.
Modeling of the Nonlinear Physical-Technical Processes. 29
.
Similar regularities in the variation of generalized fractal dimensions are observed throughout
the temperature range under study, for all considered values of the degree of surface coverage. It
should be noted that the values of the generalized fractal dimensions depend on the number of
connected nodes forming the cluster, and the sharpest change in the generalized fractal dimensions
in intermolecular interactions is observed with the initial chaotic distribution of interacting
molecules. Thus, the results of multifractal analysis of the distribution of interacting molecules have
shown that the observed changes in the structural organization of the matrix as a result of the
transfer of electron excitation energy and its annihilation depend on the nature of the initial
distribution.
A similar conclusion follows also from an analysis of the values of the order parameter
calculated on different time intervals of the kinetic dependencies. It is established that with a
chaotic distribution of interacting molecules over the surface, the degree of ordering of the matrix is
smaller than for a matrix with multifractal and cluster distributions. In this case, while the topology
and dimensions of the clusters distributed over the surface formed by the donor molecules remain
constant, the order parameter does not change.
The destruction of molecular clusters as a result of the transfer of the electron excitation energy
through the donor subsystem and its annihilation is accompanied by a change in the order
parameter. The processes of formation and destruction of molecular clusters can occur at different
time intervals and depend on the nature of the initial distribution of interacting molecules. For
example, in the case of the initial multifractal distribution, the formation of molecular clusters as a
result of heteroannihilation is observed at a long-term region of kinetic dependences. Moreover, as
follows from the results of multifractal analysis, as the spatial separation of interacting molecules as
a result of the transfer of electron excitation energy and its annihilation, molecular clusters formed
on the surface uniformly fill the entire simulated surface. This process is accompanied by an
increase in the degree of order and the achievement of a certain constant value. The clusters formed
on the surface have characteristic dimensions. The fractal dimension of such clusters remains
constant, which allows us to consider them to be stable. The formation of stable fractal clusters
observed in the work is consistent with the literature data [6, 8]. The time of formation of stable
fractal clusters depends on the nature of the initial distribution of interacting molecules and the
features of the structural organization of the molecular matrix at different time intervals.
Thus, for matrices with different types of initial distribution of interacting molecules over the
surface, there are characteristic dependences of the change in the order parameter as a result of the
transfer of the electron excitation energy and its annihilation.
The destruction of clusters during heteroannihilation or the formation of a random set of
clusters of different sizes and topologies as a result of migration of the electron excitation energy
through the donor subsystem leads to a deviation from the dependences obtained on the basis of
formal-kinetic equations. This is confirmed by the obtained kinetic dependences for matrices with
initial chaotic and multifractal distribution of interacting molecules, for the description of which it
is necessary to use a fractal-kinetic approach that allows to take into account the topological
features of matrix-forming inhomogeneously distributed local structural elements.
Conclusion
Multifractal analysis of the structural organization of the investigated matrix and the obtained
values of the ordering parameters Δ and the information entropy Sinf showed that the order
parameter of the matrix Δ depends on the size of the molecular clusters formed on the surface as a
result of heteroannihilation and increases with the cluster size. Thus, multifractal analysis makes it
possible to establish the presence of correlations between the kinetic parameters characterizing the
change in the structural organization of the matrix as a result of intermolecular interactions and the
structural organization of the molecular matrix quantitatively described by the order parameter Δ.
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The calculated values of the order parameter of matrices with different types of initial
distribution (the random distribution of donor molecules unconnected to clusters and the random
distribution of microclusters of a given size formed by donor molecules) at different matrix
temperatures allowed us to establish that for an initial non-cluster random distribution the degree of
ordering of the matrix is less than random distribution of clustered donor molecules. With
increasing cluster sizes and uniform filling of the simulated surface, the degree of ordering
increases. Regardless of the degree of surface coverage by interacting molecules, an increase in the
degree of order in the distribution of reagents leads to a decrease in the generalized fractal
dimensions of Dq and the information entropy of the system.
The conducted multifractal analysis of the distribution of interacting molecules in a dispersive
matrix at various time intervals of kinetic dependencies has shown that the transfer of electron
excitation energy and heteroannihilation lead to the formation of stable molecular structures in
disperse matrices. This is confirmed by the dependence of the change in generalized fractal
dimensions, characteristic for each type of initial distribution of interacting molecules, the ordering
of the whole system and the information entropy.
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1 Gmachowski L. Intrinsic viscosity of bead models for macromolecules and bioparticles. European Biophysics Journal. 2001, Vol. 30, No.6, pp. 453 – 456.
2 Lozovaya T.N., Potapov A.V., Saleckiy A.M. The processes of energy transfer of electronic excitation between single and multi-type dye molecules in aqueous systems. The role of water structure. Chem. phys. 2002, Vol. 21, No.6, pp. 3 – 7.
3 Karstina S.G., Baktybekov K.S., Baratova A.A. The effect of molecular cluster connectivity on the kinetics of electron excitation energy deactivation. Proceedings of the VI Intern. Scientific Conf. "Radiation-Thermal Effects and Processes in Inorganic Materials". Tomsk, 2008, pp.891 – 896. [in Russian]
4 Mosolov A.B. Kinetics of diffusion-controlled processes in a fractal medium. JETP. 1991, Vol. 99, Issue 1, pp. 295 – 299.
5 Berberan-Santos M.N., Bodunov E.N., Martinu Zh.M.G. Kinetics of Luminescence of Porous Media: The Effective Fractal Dimensionality and Penetration Depth of Chromophores. Optics and Spectroscopy. 1999, Vol. 87, No.1, pp.74 – 77.
6 Bagnich S.A. Migration of triplet excitations of complex molecules in disordered media and in systems with limited geometry. Physics of the solid. 2000, Vol. 42, Issue 10, pp. 1729 – 1756.
7 Karstina S.G., Baktybekov K.S., Vertyagina E.N. Analysis of the Luminescence Decay on the SiO 2 Surface at Different Temperatures within the Multifractal Formalism. University news. Physics. 2005, Vol. 48, No. 6, pp. 3 – 8. [in Russian]
8 Karstina S.G., Baktybekov K.S., Baratova A.A. Thermodynamic and kinetic conditions for the formation of stable fractal structures on the surface. The nonlinear world. 2007, No. 3(5), pp. 133 – 138.
9 Malinovsky V.K. Disordered solids: universal patterns in structure, dynamics and transport phenomena. Physics of the solid. 1999, Vol. 41, Issue 5, pp.805 – 808.
10 Zhdanova N.V., Deryabin M.I. Modeling of the kinetics of the attenuation of the phosphorescence of donor molecules of matrix-isolated donor-acceptor pairs. Physics of the solid. 2015, Vol.57, Issue 9, pp.1780 – 1783.
11 Chikalova-Luzina O.P., Aleshin A.N., Shcherbakov I.P. Peculiarities of energy transfer in nanocomposite films based on semiconductor polymer MEH-PPV and nanoparticles ZnO. Physics of the solid. 2015, Vol. 57, Issue 3, pp. 603 – 608.
12 Khomich V.Yu., Shmakov V.A. Mechanisms of direct laser nanostructuring of materials. Advances in Physical Sciences. 2015, Vol. 185, No. 5, pp. 489 – 499.
13 Novikov V.U., Kozlov G.V. Structure and properties of polymers in terms of the fractal approach. Advances in Chemistry. 2000, Vol. 69, Issue 6, pp. 572 – 599.
14 W o l f r a m S . Statistical mechanics of cellular automata. Rev. Mod. Phys. 1983, Vol.55, pp. 601 – 644.
15 Nashchekin A.V., Kolmakov A.G., Soshnikov I.P., Schmidt N.M., Loskutov A.V. Application of the concept of multifractals for characterizing the structural properties of composite C60 fullerene films doped with CdTe. JETP Letters. 2003, Vol.29, Issue 14, pp. 8 – 14.
16 Smirnov B.M. Energetic processes in macroscopic fractal structures. Advances in Physical Sciences. 1 9 9 1 , Vol. 1 6 1 , No.6 , p p . 1 7 1 – 2 0 0 .
Article accepted for publication 20.11.2017
Material sciences. Technologies for creating new materials. 31
.
UDC 337.311.322
THERMOELECTRICALLY CHARACTERISTICS OF ZNO: AL
FILMS OBTAINED BY THERMAL AND MAGNETRON SPUTTERING
Dikhanbayev K.K.1, Mussabek G.K.1, Sivakov V.A.2, Shabdan E.1, Bondarev A.I.1
1al-Farabi Kazakh National University, Almaty, Kazakhstan, [email protected] 2Leibniz Institute of Photonic Technology, Jena, Germany
In this paper, we consider the temperature dependences of the electrical characteristics of a
conducting and transparent ZnO: Al film obtained by two methods: thermal sputtering in vacuum and
magnetron ion-plasma sputtering. The temperature dependences of the resistivity, the concentration,
the mobility of the charge carriers, and the field dependence of the magnetic resistance were measured.
It is shown that the aluminum doping of a ZnO film by various sputtering processes leads to a change in
the transfer of charge carriers by defects in impurity atoms and the grain boundary, in addition, with
increasing impurity concentration, the resistivity of the film remained constant. Measurement by the
Seebeck effect showed that the magnetic resistance for all the samples under study is negative and
decreases with increasing temperature and an increase in the level of doping. Therefore, the ZnO: Al
film is electrically conductive. The absolute value of the magnetic resistance does not exceed 2.5%.
Thus, films obtained by magnetron sputtering can be used as a film as an antireflection and stable
coating for textured and silicon nanowires.
Keywords: Temperature dependences, magnetron sputtering, Seebeck effect, magnetic resistance, resistivity, concentration, mobility, Hall effect, impurity.
Introduction
As is known, a transparent conductive film based on zinc oxide ZnO, doped aluminum of
various concentrations is of great interest among researchers, because of the wide-gap
semiconductor material for the Schottky barrier in solar cells [1] and in light-emitting diodes [2].
Previous work [3] [4], as a TCO film on the surface of silicon nanofilms, a transparent antireflective
coating based on ZnO: Al, the so-called (AZO) film was used. We studied zinc oxide films made by
thermal and magnetron evaporation using a different level of Al doping.
In this paper, we will consider the electrical characteristics of the ZnO: Al film, such as the
resistivity, charge carrier concentration and mobility with the help of the Hall measurement, and
also their temperature dependence.
1. Experimental description
The investigated zinc oxide films were obtained using two methods: thermal evaporation and
magnetron sputtering. In thermal evaporation, we investigated films of zinc oxide 0.3 μm thick.
Different levels of doping with aluminum were used [5]. The temperature dependences of the
resistivity and magnetic resistance of Hall effects were experimentally investigated in the range
from 2 to 300 K in magnetic fields up to 8 Tesla. The investigated films had n-type conductivity in
the range from 2 × 104
to 2 × 105 S / m, depending on the level of doping.
The temperature dependence of the conductivity, electron density, and mobility is weak [6]
(values at helium and room temperatures differ by less than 5%). At low temperatures, the films
exhibit a small negative magnetoresistive effect (a limitation of up to -2.5% at 4 K), which
decreases with an increase in the level of aluminum doping and temperature.
Glass was used as substrates and single-crystal silicon plates obtained by the Czochralski
method, coated with a layer of SiO2. The synthesis was carried out at 225°C. The target was pure
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zinc oxide or zinc with the addition of aluminum (in a ratio of 30: 1 or 20: 1). The thickness of the
deposited films was (0.29 ± 0.1) μm. In this work, the temperature dependence of the resistivity
from 0 ° K to room temperature 300°K will be considered for the deposition of a ZnO film with
doped and without doped aluminum impurities. The experiments will be carried out on quartz glass
at different temperatures, magnetron-sputtering methods (vacuum unit VUP-4) and thermal
evaporation in vacuum (VUP-5).We will also determine other parameters, in particular, the
concentration and mobility of charge carriers in a transparent ZnO film of Al doped and without it.
2. Results and discussion
As shown by our experiments, the highest resistance is observed in films deposited by
magnetron sputtering without doping with aluminum (Fig. 1). It can be seen that at low
temperatures the resistivity of films synthesized by magnetron sputtering is approximately five
orders of magnitude higher than for films obtained by thermal evaporation; at room temperature,
this difference is reduced to 3 orders of magnitude.
Fig.1. Temperature dependence of the resistance for doped zinc oxide films:
(a) magnetron sputtering, (b) thermal evaporation
An increase in temperature from 4 to 300 K is accompanied by a decrease in the resistivity of
films deposited by magnetron sputtering by a factor of 100, while the resistance of films obtained
by thermal evaporation changes by less than 10% in the entire investigated temperature range. Thus,
films obtained by magnetron sputtering show significantly higher resistivity and sensitivity to
temperature, while thermally sputtered films have a low resistivity, which depends little on
temperature.
Aluminum doping of zinc oxide films obtained by thermal evaporation reduces their resistance
by approximately an order of magnitude and reduces the sensitivity of the resistance to temperatures
(Figure 2). For thermally sputtered in vacuum films, the resistivity decreases monotonically with
the level of doping by aluminum atoms. At the same time, the effect of doping on the resistivity of
films obtained by magnetron sputtering was not observed.
As can be seen from Fig. 3, the magnetic resistance (MR) for all the films under study is
negative and decreases with increasing temperature. The absolute value of MR does not exceed
2.5% and decreases with increasing doping level. Experiments have shown that the Hall coefficient
is negative throughout the temperature range studied, which indicates the n-type conductivity for all
types of films.
Material sciences. Technologies for creating new materials. 33
.
Fig.2. Temperature dependence of the resistivity for films of zinc oxide doped with aluminum and
obtained by thermal evaporation).
Fig.3. Field dependence of the magnetic resistance of zinc oxide films at different temperatures for samples:
(a) obtained by magnetron sputtering, without doping; (b) thermally deposited, without doping; (c) thermally
deposited, doped at 1: 30; (g) thermally deposited, doped at 1:20.
The electron concentration N was estimated from the results of measurements of the Hall effect
taking into account the fact that the Hall factor is close to unity:
34 ISSN 1811-1165 (Print) ISSN 2413-2179 (Online) Eurasian Physical Technical Journal, 2017, Vol.14, No.2(28)
1HR
eN , (1)
where e is the electron charge.
The temperature dependence of the electron concentration calculated from the expression for
RH (T) by the formula (1) is shown in Fig. 4. As can be seen from the figure, regardless of the type
of films, the electron concentration is practically constant in the investigated temperature range (4-
300 K). This fact is naturally explained by the high level of doping of the films, which leads to the
formation of an overlap of the impurity band with the zinc oxide conductivity zone.
The Hall mobility of electrons μ can be expressed as follows
1/= μNe, (2)
= RH/μ. (3)
The temperature dependences of the mobility calculated by the formula (3) are shown in Fig. 5.
It can be seen from the figure that the mobility in films obtained by the magnetron sputtering
method is much lower and depends strongly on temperature.
Fig.4. Temperature dependence of the electron concentration in zinc oxide films: (a) obtained by
magnetron sputtering, undoped; (b) thermally deposited, undoped; (c) thermally deposited, alloyed with
aluminum at 1: 30; (d) thermally deposited, alloyed with Al at 1: 20.
Material sciences. Technologies for creating new materials. 35
.
Fig.5. Temperature dependence of electron mobility in zinc oxide films obtained by:
(a) magnetron sputtering, undoped; (b) thermal evaporation, undoped; (c) thermal evaporation, doped
with aluminum at 1: 30; (d) thermal evaporation, alloyed with aluminum at 1:20
The increase in electron mobility with temperature for films obtained by magnetron sputtering,
as well as its insignificant change with temperature for films obtained by thermal evaporation, is
probably due to the fact that electron scattering is mainly determined by defects (impurity atoms,
grain boundaries), then As scattering by phonons plays an insignificant role.
Conclusion
As a result of the experimental measurement of the temperature dependence of the resistive
characteristic of the ZnO film obtained by magnetron sputtering, the resistivity and sensitivity to
temperature are much higher, while the thermally sputtered films have a low resistivity that is
weakly temperature dependent. For thermally sputtered in vacuum films, the resistivity decreases
monotonically with the level of doping by aluminum atoms. At the same time, the effect of doping
on the resistivity of films obtained by magnetron sputtering was not observed.
In addition, the magnetic resistance (MR) for all the films under study is negative and
decreases with increasing temperature. The absolute value of MR does not exceed 2.5% and
decreases with increasing doping level. The temperature dependence of the electron concentration,
calculated from the expression for RH (T), showed that, regardless of the type of films, the electron
concentration is practically constant in the investigated temperature range (from 4 to 300 K). This
36 ISSN 1811-1165 (Print) ISSN 2413-2179 (Online) Eurasian Physical Technical Journal, 2017, Vol.14, No.2(28)
fact is naturally explained by the high level of doping of the films, which leads to the formation of
an overlap of the impurity band with the zinc oxide conductivity zone.
The temperature dependences of mobility of charge carriers calculated from the Hollow
measurement and obtained by the magnetron sputtering method are much lower, and strongly
depend on temperature. An increase in the mobility of electrons with temperature is due to the
scattering of electrons in the volume of the film by defects (impurity atoms, grain boundaries),
whereas scattering by phonons plays an insignificant role.
ACKNOWLEDGEMENTS
This work was supported by the Committee of Science of the Ministry of Education and Science of the Republic of Kazakhstan (Grant No. 0263/PTF).
REFERENCES
1 Leem J.W., Joo D.H., Yu J.S. Biomimetic parabola-shaped AZO subwavelength grating structures for
efficient antireflection of Si-based solar cells. Solar Energy Materials & Solar Cells. 2011, Vol.95, pp.2221
– 2227.
2 McGlynn E., Fryar J., Tobin G., Roy C., Henry M.O., Mossier J.-P., E. de Posada, Lunney J.G. Effect
of polycrystallinity on the optical properties of highly oriented ZnO grown by pulsed laser deposition. Thin Solid
Films. 2004, Vol. 458, pp. 330 – 335.
3 Dikhanbayev K.K., Topanov B.G., Mussabek G.K., Saylanbek S., Taurbaev T.I. Development of the
technology for creating LED structures based on ZnO/por-GaN and studying their optoelectronic properties.
Proc. of the X-th international scientific conference "Perspective technologies, equipment and analytical
systems for materials science and nanomaterials". Almaty, 2013, pp. 186 – 191.
4 Qu Y., Gessert T.A., Ramanathan K., Dhere R.G., Noufi R., Coutts T.J. Electrical and optical
properties of ion beam sputtered ZnO: Al films as a function of film thickness. Vac. Sci. Technol. A. 1993,
Vol.1, pp .996 – 1000.
5 Mussabek G.K., Dikhanbayev K.K., Sivakov V.A., Talkenberg F., Sailanbek S., Djunusbekov A.S.,
Ukenova G.Ye., Kemelbekova A.Ye. Aluminum doped zinc oxide layers by atomic layer deposition and
magnetron sputtering: Formation and comparison of optoelectronic properties.//J. Physical Sciences and
Technology. 2015, Vol. 2, pp. 18 – 23.
6 Loff, S. Wieder, D. Rech, O. Klutb, C. Beneking, H. Wagner. Al-doped ZnO films for thin-films solar
cells with very low sheet resistance and controlled texture. Proc. of 14th European Photovoltaic Solar
Energy Int. Conference and Exibition, Barselona, Spain. 1997, pp. 2089 – 2093.
Article accepted for publication 11.10.2017
Material sciences. Technologies for creating new materials. 37
.
UDC 621.762
THE STRUCTURE OF A SUPERHARD COMPOSITE, SYNTHESIZED
FROM HEXAGONAL BORON NITRIDE AND ALUMINUM NITRIDE
NANOFIBERS
Komarov A.I., Senyut V.T., Komarova V.I.
Joint Institute of Mechanical Engineering of the National Academy of Sciences of Belarus, Minsk, Belarus, [email protected], [email protected]
The paper considers the results of a study of the structure, phase composition, and
microhardness of a superhard composite material based on cubic boron nitride. The material under
study was obtained from a hexagonal modification of BN modified by nanostructured aluminum
nitride AlN. The procedure of an X-ray diffraction study is described that includes a radiography
phase analysis at an automated complex based on a diffractometer with recording in scanning. The
micromechanical properties of the composite were investigated by the method of nanoindentation. It is
shown that obtained under high pressures and temperatures material contains aluminum boride AlB2
with a hexagonal crystal lattice alongside with the cubic BN and AlN.
Keywords: superhard composite materials, high pressures and temperatures, cubic and hexagonal boron nitride, aluminum nitride nanofibres, modification, nanostructure, nanoindentation, diffractogram, microhardness.
Introduction
At present, superhard composite materials (SHCM) based on micropowders of cubic boron
nitride (CBN) for finishing and semi-finishing pieces made of cast iron, hardened steels and other
hard-to-machine materials have become widespread instead of traditional hard-alloy tools. As a
rule, such materials are made of CBN micropowders with a size of less than 20 microns. Since the
initial CBN powders are considerably brittle, when cutting hard-to-machine items, the cutting edge
of the tool is chipped. A high level of mechanical properties of SHCM is known to be determined
by a highly refined grain structure [1]. Similarly with refractory materials that acquire plastic
properties in the nanodispersed state [2], superhard materials obtained on the basis of nanodispersed
powders, or on the basis of compositions including nano-, submicro- and micropowders, must also
have improved physicomechanical characteristics, including higher fracture toughness. Therefore,
the development of methods for obtaining SHCM on the basis of nano- and submicron powders of
cubic BN is a very urgent practical problem.
It was shown earlier [3] that for the production of SHCM on the basis of CBN used in metal
working, nano- and micropowders of titanium and aluminum nitrides, which are refractory
compounds, are sufficiently effective binding substances. The boundaries of the temperature range
within which it is advisable to sinter powder compositions for obtaining a cutting tool are
determined. It has been found that the obtained material is satisfactory refractory in iron processing,
but sufficient quality of the machined surface is not achieved.
At the same time, it is known that SHCM based on CBN, characterized by the most fine-
grained structure, are obtained, as a rule, by direct phase transitions from hexagonal boron nitride
(HBN) under high pressures and temperatures [4, 5]. However, along with the high hardness
approaching the hardness of single crystals of CBN, such materials are characterized by increased
brittleness, which limits the field of their practical use.
38 ISSN 1811-1165 (Print) ISSN 2413-2179 (Online) Eurasian Physical Technical Journal, 2017, Vol.14, No.2(28)
The introduction of heat-resistant nanoceramics, in particular of refractory nitrides and
borides of titanium, silicon, aluminum [3] facilitates an increase in the plastic properties of such
materials and improves sintering of CBN under high temperatures without recrystallization. In
addition, metal nitrides, as well as metals themselves, in particular aluminum nitride and aluminum,
serve as catalysts for the phase transformation of hexagonal BN to cubic one. It was shown in [6]
that under thermobaric treatment of HBN, modified with aluminium, the formation of refractory
compounds (AlN, AlB2, Al2O3 corundum and alumina oxide of non-stoichiometric compound
Al2,6O4) takes place under high temperature in a high-pressure chamber directly during the synthesis
of a superhard material.
In [7, 8], a fundamentally new approach to the creation of nanostructured composite
polyfunctional refractory ceramic fillers (NCPRCF) was proposed. The developed physico-
chemical principles for the production of NCPRCFs consist in the task-oriented modification of the
initial micro- and ultradispersed powders by reaction-active elements of the surface layers that
makes for the formation of highly dispersed components on the surface of micropowder particles.
According to the developed concept, the initial micro- and ultradispersed powders, when modified
with active components, perform, on the one hand, the function of donors for the chemical reactions
on their surface leading to the formation of in-situ nanoscale elements and compounds chemically
bound by micropowder particles, on the other hand, carriers of nanosized compounds into the
reaction medium.
It was established in [7, 8] that the best interaction between the BN and the binder occurs
when the nanostructured refractory compounds AlN, AlB2 are formed directly (in situ) on the
surface of the micro-powder particles of the HBN. In this case, the quantitative and phase
composition of the nanobinder is specified at the stage of its formation when the HBN is modified.
AlN nitride, which forms in this case, is a substance that stimulates the phase transformation of the
HBN in CBN and offers a sufficiently high thermal conductivity, which will improve the
performance of a metalworking tool.
The purpose of this work is to study the process of obtaining nanostructured SHCM based on
CBN by phase conversion from hexagonal BN modified with nanostructured AlN.
1. The research technique
As the source raw material, the micropowder of the HBN from the Zaporozhye Abrasive Plant
(TU 2-036-1045-88) with a BN particle size of up to 50 μm was used in the work. The modification
of the HBN micro-powder with nanoparticles of refractory compounds was carried out in a reducing
medium of ammonia and hydrogen under temperatures of 900-950°C, during which a nanocoating
of refractory aluminum compounds was formed on the HBN.
The thermobaric treatment of the charge stock was carried out in an high pressure apparatus
(HPA) "anvil with a hollow" under pressures of (4.5-7.7) GPa in the temperature range of 1600-
2300оС during (15-45) sec. As a medium transferring pressure, a container made of lithographic
stone was used, inside of which a tubular graphite heater with the material under study was placed.
To estimate the pressure in the synthesis chamber, a calibration method at room temperature was
used, based on the comparison of the press force and the pressure of the polymorphic
transformation in the standard substance (Bi and PbSe). Temperature control was carried out by
means of chromel-alumel and platinum-platinum-rhodium thermocouples. A controller developed
on the basis of a PC-compatible industrial workstation with an installed graphic LCD-display and a
keyboard was used to control the specified sintering parameters (duration and heating power, as
well as the loading force) [9].
X-ray diffraction studies involving radiography phase analysis (RPA) were performed on an
automated X-ray complex based on the DRONE-3M diffractometer in CoKα radiation. The
radiographic recording was carried out in the scanning mode (point-source) with the interval of
0.1°. In order to ensure the reliability of the obtained results, the pulse set duration at a point was 20
Material sciences. Technologies for creating new materials. 39
.
seconds. A complex AFM analysis was carried out on a scanning NT-206 microscope using
triangular cantilevers NSC11 with a resonance frequency of 315 kHz and a radius of curvature of
the tip of ~10 nm. The micromechanical properties of the composite were also investigated by the
nanoindentation method using a nanoindenter of 750 Ubi brand from Hysitron firm (USA) with a
Berkovich indenter with a radius of curvature of 100 nm.
2. Results and discussion
Figure 1 shows fragments of diffractograms of the initial BN micropowder and the synthesis
product formed on its basis. It can be seen that there are no impurities in the initial BN powder, as
there is no evidence except for reflections belonging to the BN powder in the diffractogram
(Fig.1a). It is also seen that the reflections of the HBN powder are sharp, which directly indicates
that its particles are sufficiently large, the size of which, as has already been noted, is in the range
up to 50 μm. The SEM image of the BN powder is consistent with the X-ray diffraction analysis,
from this it follows that the size of its particles is within the specified range and they are of a plate-
like shape typical for HBN (Fig. 1a).
a)
b)
Fig.1. Fragments of diffractograms and the microstructure of the initial powder
of hexagonal boron nitride (a) and the product of synthesis (b)
The result of phase transformations and chemical reactions in the modification of BN with
aluminum is the formation of BN particles of ceramic compounds of the metal on the surface. An
X-ray study of the aluminum-modified BN powder showed that those compounds are AlN and AlB2
(Fig. 1b). AlN has a form of a hexagonal crystal lattice; the lattice parameters of the unit cell are
a=0.3111 nm, c=0.4979 nm. The same syngony is characteristic of aluminum boride. Besides the
40 ISSN 1811-1165 (Print) ISSN 2413-2179 (Online) Eurasian Physical Technical Journal, 2017, Vol.14, No.2(28)
synthesis of refractory ceramic compounds, unreacted aluminum is found in the charge mixture
(Fig. 1 b). The aluminum nitride in the resulting charge is synthesized in a reducing atmosphere
containing ammonia and hydrogen during the processing of the initial mixture at 900-950° C
according to the reaction 2Al + 2NH3 → 2AlN + 3H2 .. ↑
AlB2 aluminum boride content in the resulting charge can be explained by partial
decomposition of the HBN into components - B and N, and a reaction between aluminum and free
boron, a minor amount of which is in the original mixture. Released during decomposition of boron
nitride, nitrogen reacts with aluminum to form the additional AlN, the main content of which is
synthesized according to the above formula by reaction with ammonia, being in a reducing
atmosphere. The obtained data show that in this case the quantitative content of ceramic compounds
of AlN and AlB2 in NCPRCF is 18% and 5% respectively. The particle size of the AlN is 18 nm,
and that of AlB2 is 44 nm. The corresponding share of decomposed hexagonal boron nitride is ~2%.
The study of the structure of the obtained charge by the method of scanning electron
microscopy showed that the synthesized aluminum nitride is represented as whiskers and
nanofibres, firmly connected with fragments of hexagonal boron nitride (Fig. 1a, b). This character
of the structure allows us to conclude that the growth of this nitride is initiated by the partial
decomposition of boron nitride, thereby ensuring a strong chemical bond between the nanowhiskers
and nanofibres of AlN with the microparticles of the HBN. Thus, in the obtained powder material, a
uniform distribution of refractory nanosized ceramic compounds and aluminum serving as catalysts
for the phase transition of HBN→CBN and modifying additives for the synthesis of SHCM is
observed.
As a result of sintering of the charge modified by nanosized refractory components based on
HBN, a solid material was formed under a pressure of 4.5 GPa. The performed X-ray phase analysis
showed that under these technological parameters a complete phase transition of HBN→CBN was
carried out. This is evidenced by the absence of reflections of lines related to boron nitride of
hexagonal modification in the diffractogram of the synthesized material (Fig. 2).
Fig.2. The diffractogram of the composite material obtained as a result of thermobaric treatment
of the charge based on BN.
Besides the CBN lines, reflections related to nitride and aluminum boride are recorded in the
diffractogram. The low intensity of the corresponding lines indicates that these compounds are
present in the tracks. At the same time there are no reflections of aluminum, which indicates its
complete transformation during the thermobaric treatment of the material. The presence of intense
reflection of graphite refers to the remains of the holder, which is part of the equipment. Such a
phase composition of the synthesized material ensures its high microhardness, which reaches (30 -
32) GPa.
Material sciences. Technologies for creating new materials. 41
.
Conclusion
Physicochemical principles of in-situ synthesis of AlN in a charge mixture based on the HBN
in the form of whiskers and nanofibres, as well as nano-sized aluminum boride AlB2 serving as
catalysts for the phase transition of HBN→CBN and modifying additives in thermobaric sintering
of SHCM was developed. As a result of thermobaric sintering of the modified HBN powder, a
SHCM based on cubic BN offering a microhardness of 30-32 GPa was obtained, promising for use
in cutting tools for finish turning of hardened steels, cast irons, and other hard-to-machine materials.
ACKNOWLEDGEMENTS
This work is supported by the State Program of Scientific Research "Mechanics, Metallurgy, Diagnostics in Machine Engineering", Task 2.2.06 and by the State Program of Scientific Research "Physical Materials
Science, New Materials and Technologies", task 2.50.1
REFERENCES
1 Trefilov V.I., Milman Yu.V., Firstov S.A. Physical bases of strength of refractory metals. Kiev,
Naukova Dumka, 1975, 315 p.
2 Andrievsky R.A. State of development and prospects in the field of powder nanostructured materials.
Republic. interd. collection of scientific works "Powder Metallurgy", Minsk, 1999, No.22, pp. 119 – 126.
3 Shipilo V.B., Zvonarev E.V., Kuzey A.M. Preparation, properties and application of diamond
powders and cubic boron nitride. Ed. by P.A.Vityaz. Minsk, Bel. Navuka, 2003, 335 p. [in Russian]
4 Golubev A.S., Kurdyumov A.V., Pilyankevich A.N. Boron nitride. Structure, properties, production.
Kiev, Nauk. dumka, 1987, 200 p. [in Russian]
5 Novikov N.V. Synthetic superhard materials: Synthesis of superhard materials. Kiev, Naukova
Dumka, 1986, Vol.1, pp.175. [in Russian]
6 Senyut V.T., Kovaleva S.A., Mosunov E.I., Valkovich I.V., Gamzeleva Т.V. Synthesis of
nanostructured polycrystalline material based on cubic boron nitride. Proceedings of the III-rd Int. Samsonov
Conf. "Material science of refractory compounds". Kiev, IPM NASU, 2012, pp. 205.
7 Vityaz P.A., Komarov A.I., Komarova V.I., Shipko A.A., Ovchinnikov V.V., Kovaleva S.A. Effect
of the phase composition of a nanostructured refractory modifier on the structure and tribological properties
of the AK12M2MgN alloy. Friction and wear. 2013, Vol. 34, No. 5, pp. 435-445.
8 Vityaz P.A., Komarov A.I., Komarova V.I., Shipko A.A., Senyut V.T. Aspects of creating nano-
structured composite modifiers for aluminum alloys. Proc. of AS of Belarus. 2011, Vol. 55, No.5, pp.91 - 96.
9 Vityaz P.A., Gritsuk V.D., Senyut V.T. Synthesis and application of superhard materials. Minsk,
Belorussian Science, 2005, 359 p.
Article accepted for publication 25.10.2017
42 ISSN 1811-1165 (Print) ISSN 2413-2179 (Online) Eurasian Physical Technical Journal, 2017, Vol.14, No.2(28)
UDC 537.533.34
DEVELOPMENT OF MIRROR ENERGY ANALYZER BASED
ON ELECTROSTATIC QUADRUPOLE-CYLINDRICAL FIELD
Kambarova ZH.T.1, Saulebekov A.O.2
1 Karaganda State University named after E.A. Buketov, Karaganda, Kazakhstan, [email protected]
2Lomonosov Moscow State University, Kazakhstan branch, Astana, Kazakhstan
The article is devoted to the development of the mirror energy analyzer based on the electrostatic
nonuniform quadrupole-cylindrical field. The motion of charged particles in the quadrupole-cylindrical
field is investigated. Focusing properties of the electron-optical scheme of the energy analyzer are
determined. The regime of the “ring-ring” type second-order angular focusing is found. The
instrumental function of the device is obtained.
Keywords: energy analyzer, quadrupole-cylindrical field, focusing properties, angular focusing, instrumental function.
Introduction
For the investigation of nanostructured objects, one needs an arsenal of physical research
methods that are distinguished by a rare combination of nanoscale spatial resolution and ability of
elemental and phase analysis. To these methods, first of all, it is necessary to attribute electron
spectroscopy. The implementation of methods of electron spectroscopy is based on the use of
complex equipment, one of main elements of which is a dispersive energy analyzer of low- and
medium-energy electrons.
The electrostatic energy analyzer of charged particles with a cylindrical field has found wide
application in view of the high luminosity due to the presence of axial symmetry in the device, as
well as the second-order focusing in the expansion beam angle [1]. The disadvantage of the known
cylindrical mirror is that the high luminosityof this analyzer is realized only at a small resolution. It
is impossible to reach both at the same time. For improve of electron-optical properties, it is
necessary to modify the deflecting field by changing the outer electrode shape of the cylindrical
mirror and forming the field with axial and radial potential gradients.
The construction method of axially symmetric electrostatic multipoles in coordinate systems,
in which the Laplacian is the sum of second-order differential operators separated by coordinates,
was first proposed in [2]. Axially symmetric multipoles in cylindrical and spherical coordinates are
found. A multipole of different orders (quadrupole, hexapole, sextupole, decapole, etc.) has the
symmetry plane perpendicular to the symmetry axis of rotation. On the basis of the superposition of
the axially symmetric multipole and the cylindrical field, high luminosity energy analyzers of
charged particle beams can be constructed. Energy analyzers based on electrostatic hexapole-
cylindrical fields have been investigated quite well, and a large number of works are aimed at
studying their electron-optical characteristics and functional capabilities [3-6].
The quasiconic analyzer, representing the new class of electron energy analyzers, was proposed
in [7]. The analyzer has an axially symmetric field structure analogous to the cylindrical mirror
analyzer, but differing from the latter by the nonuniformity of the field along the symmetry axis.
This nonuniformity obeys the following formula:
22ln
2
rU r z
(1)
Material sciences. Technologies for creating new materials. 43
.
The structure of difference field (1) is close to the quadrupole-cylindrical field. The
investigated mirror quadrupole-cylindrical field is constructed on the basis of the superposition of
the cylindrical field ln r and the axially symmetric cylindrical quadrupole:
0( , z) lnqU r U z r (2)
where is the coefficient that determines the weight contribution of the cylindrical field.
The quadrupole-cylindrical field (2) at value 1 coincides with the well-known Wannberg
field [8]. The potential of the Wannberg field in the coordinate system r, z is described by the
following expression
1
1 ln
ln o
o
V rU Az
r r
r
(3)
where A is a small dimensionless parameter.
Wannberg numerically found that the analyzer with the proposed modified potential field (3)
provides simultaneous focusing in the wide energy range and the focal surface can be approximated
to the surface of the inner cylindrical electrode (at r = r0) for energies within 7-16% of the central
energy.
The purpose of work is the numerical calculation of the electron-optical parameters of the
electrostatic energy analyzer of charged particles with the quadrupole-cylindrical field.
1. Modeling of the electron-optical scheme of the energy analyzer with the quadrupole-cylindrical field
The numerical program “Focus” [9] for modeling the systems of electronic optics was used as
the main tool for numerical calculations. Results of the numerical calculation of the electron-optical
scheme of the electrostatic energy analyzer of charged particles with the quadrupole-cylindrical
field at A = -0.05 are presented below. The profile of the outer deflecting electrode is determined
from the calculation of equipotential lines in the quadrupole-cylindrical field. Fig. 1 shows the
equipotential portrait of the electrostatic quadrupole-cylindrical field at A = -0.05.
Fig.1. Equipotential portrait of the quadrupole-cylindrical field at A = -0.05
44 ISSN 1811-1165 (Print) ISSN 2413-2179 (Online) Eurasian Physical Technical Journal, 2017, Vol.14, No.2(28)
Radial potentials (in z = 0 section) of the cylindrical and quadrupole-cylindrical fields are
shown in Fig.2. As can be seen from the Fig. 2, the quadrupole-cylindrical field is more non-
uniform than the cylindrical field.
Fig. 3 shows the axially symmetric construction of the energy analyzer with the quadrupole-
cylindrical field at A = -0.05. The field is formed in the space between two axially symmetric
coaxial electrodes. The inner cylindrical electrode (radius ro) is grounded. The outer electrode under
the potential Ucreates field nonuniformity and has a curvilinear profile
)1(
)(lnexp 1
Az
rrrr
o
o.
Fig 2. Radial potentials of a cylindrical and quadrupole-cylindrical fields
(in the cross section z = 0)
Fig. 3. The meridional cross section of the energy analyzer construction with the quadrupole-
cylindrical field at A = -0.05: 1 – theinner grounded cylindrical electrode, 2 – the outer deflecting electrode,
having a curvilinear profile, 3- field nonuniformity, 4 - magnetic screen
Material sciences. Technologies for creating new materials. 45
.
2. Results and discussion
As can be seen from Fig. 3 in the case A = -0.05, the outer deflecting electrode has the
increasing exponential profile. At a small quantity of A = -0.05, the profile of the outer deflecting
electrode is well approximated by a cone whose generatric line has a small angle of inclination
with respect to the symmetry axis of the mirror equal to ~ 5.4 deg.
Fig. 4 shows the distribution of the electrostatic quadrupole-cylindrical field. Here, calculations
of potentials values at the grid nodes of the partitioning region and painting the output field by color
are carried out. Each point corresponds to the potential value: the larger the potential, the “warmer”
the color.
Fig.4. Distribution of the quadrupole-cylindrical field in the energy analyzer
Fig. 5 shows the electron-optical scheme of the energy analyzer with the quadrupole-
cylindrical field, which provides the regime of “ring-ring”angular focusing. Range of entrance
angles is 0 040 5 . The relative energy of the particles is E/U=1. The position of the source is
x = 0.5; y = 0.25.
Fig.5. The electron-optical scheme of energy analyzer with the quadrupole-cylindrical field:
1 –the inner grounded cylindrical electrode, 2 –the outer deflecting electrode having curvilinear profile,
3 – ring entrance window, 4 –ring exit window;
A - thin ring source, B - ring image, 5-charged particles beams
46 ISSN 1811-1165 (Print) ISSN 2413-2179 (Online) Eurasian Physical Technical Journal, 2017, Vol.14, No.2(28)
Values of distance between the source and its image from the surface of the inner cylindrical
electrode, which is considered positive inward from the radius or , equal to 21 0.25. All
dimensions are expressed in conventional units. In the energy analysis regime, the charged particle
beams comes from the thin ring source A and enters into the electric field through the entrance
window on the inner cylindrical electrode. The electric field is created by a negative potential on the
outer electrode with a curved profile. Further beam passes through the exit ring slit and is focused
into the ring image B.
Thus, the trajectory analysis of the scheme showed that the design of the energy analyzer based
on the quadrupole-cylindrical field has “ring-ring” type second-order angular focusing in the near
the central entrance angle of charged particles 39.50. The table presents calculation results of
focusing properties of the energy analyzer on the basis of the quadrupole-cylindrical field at A = -
0.05.
Table - Focusing properties of the energy analyzer on the basis of the quadrupole-cylindrical
field at A = -0.05
Focusing type «ring-ring»
Focusing order 2
Center focusing angle 39.50
X coordinate of focusing 5.422
Y coordinate of focusing 0.25
The total length of the electron-optical scheme, 0rLl 6
Reflection parameter, Р 1
From results of the trajectory analysis of the system it is also determined that in the energy
analyzer with the quadrupole-cylindrical field the condition for focusing line straightening is not
realized and its conversion into the spectrograph mode is impossible. This result disproves
conclusions aboutconditions for a certain approximation of the focal line to the surface of the inner
cylindrical electrode, established numerically by Wannberg in [8]. For evaluation the quality of
energy analyze the instrumental function was constructed based on results of the trajectory analysis.
Fig.6 shows the instrumentalfunction of the developed device.
Fig. 6. The instrumental function of the energy analyzer of charged particles
with the quadrupole-cylindrical field
Material sciences. Technologies for creating new materials. 47
.
From the analysis of the instrumental function of energy analyzer it follows that at luminosity
%11%10035cos45cos2/ 0 the relative energy resolution %2.0%1000 EER
is provided, where E is the total width of the instrumental function at half-height from its
maximum, 0E is the setting energy of the energy analyzer corresponding to the maximum of the
function. Resulting calculated parameters correspond to the optimal case.
Conclusions
The scheme of the energy analyzer based on the electrostatic mirror quadrupole-cylindrical
field with the parameter A = -0.05 is investigated. The trajectory analysis of the system is carried
out. Focusing properties of the proposed energy analyzer are determined. The second-order angular
focusing regime of the “ring-ring” type is found by numerical modeling. The instrumental function
of the energy analyzer is calculated. The energy analyzer based on theelectrostatic quadrupole-
cylindrical field has a high energy resolution and a high luminosity.
Acknowledgment
This work was supported by the grant GF4-0815 of the Ministry of Education and Science of the Kazakhstan.
REFERENCES
1 Zashvkara V.V., Korsunskiy M.I., Kosmachev O.S. Focusing properties of the electrostatic mirror
with the cylindrical field. Zhurnal tekhnicheskoy fiziki. 1966, Vol. 36, No. 1, pp. 132 – 138. [in Russian]
2 Zashkvara V.V., Tyndyk N.N. Axially symmetric electrostatic multipoles, their application.
Zhurnal tekhnicheskoy fiziki. 1991, Vol.61, No.4. – P.148-157. [in Russian]
3 Ashimbaeva B.U., Chokin K.Sh., Saulebekov A.O. Focusing properties of a mirror analyzer with
hexapole cylindrical field. J. of E.Spect. and Rel. Phen. 2005, No. 143 (1), pp. 29 – 32.
4 Saulebekov A.O., Assylbekova S.N., Kambarova Zh.T., Kutum B.B. The organization of
protection from the influence of edge fields in the hexapole-cylindrical analyzer. Bulletin of the Karaganda
University. Physics Series. 2008, No.2 (50), pp.54 – 59. [in Russian]
5 Ashimbaeva B.U., Chokin K.Sh., Saulebekov A.O., Kambarova Zh.T. Modeling of electron-optical
scheme of a hexapole-cylindrical analyzer. Applied Physics. 2012, Vol. 2, pp. 45 – 48. [in Russian]
6 Gurov V. S., Saulebekov A. O., Trubitsyn A.A. Analytical, Approximate-Analytical, and
Numerical Methods for Design of Energy Analyzers. Advances in Imaging and Electron Physics. Academic
Press is an imprint of Elsevier Toulouse, France, 2015, pp. 224.
7 Golikov Yu.K., Kholin N.A., Shorina Т.А. Theory and practice of quasi-conical energy analyzers.
Nauchnoye priborostroyeniye. 2009, Vol.19, No. 2, pp. 13 – 24. [in Russian]
8 Wannberg B. An electrostatic mirror spectrometer with coaxial electrodes for multi-detector
operation. Nuclear Instruments and Methods. 1973, Vol. 107, pp. 549 – 556.
9 Trubitsyn A., Grachev E., Gurov V., Bochkov I., Bochkov V. CAE "FOCUS" for modelling and
simulating electron optics systems: Development and application. Proceedings of the Intern. Conference on
Optical and Photonics Engineering (ic OPEN 2016); 2017, Volume 10250, doi:10.1117/12.2256570
Article accepted for publication 22.11.2017
48 ISSN 1811-1165 (Print) ISSN 2413-2179 (Online) Eurasian Physical Technical Journal, 2017, Vol.14, No.2(28)
UDK: 532.783:541.1:539.21:535.37
MODELING OF PHYSICAL CHEMICAL PROPERTIES OF NEW
DERIVATIVES OF ARYLPROPARGYL ETHERS OF PHENOL
1Agelmenev M.E., 2Bratukhin S.M., 2Polikarpov V.V.,
3Bektasova G. S., 3Sabiev S. Y., 4Salkeyva A.K.
1Karaganda State University named after E.A. Buketov, Kazakhstan, [email protected] 2Central Kazakhstan Academy, Karaganda, Kazakhstan
3East Kazakhstan State University named after S. Amanzholov, Ust-Kamenogorsk, Kazakhstan 4Karaganda State Technical University, Karaganda, Kazakhstan
This work is devoted quantum-chemical investigations of the structure, dipole moments, and
experiments on computer simulation of the behavior of new derivatives of APEP with substituents in the
para- positions of the phenyl fragments of molecules (alkylcyclohexyl, NO2, F, Cl, CN). It was
established that it was found that the dipole moments, the heats of formation, and the electronegativity
of the new APEP derivatives as a whole correlate with each other. It is shown that their structures have
an extended structure that can contribute to the manifestation of liquid crystal properties. The changes
in the degree of order with increasing temperature in conjunction with the fluorine atom correspond to
this assumption. It is established that parallel annealing is the best approach for such studies. It was
found that an increase in the length of the molecules, in the presence of mesogenicity, will have a
positive dielectric anisotropy. It is found that the search for phase transition temperatures is better
performed by using an annealed cluster at 10 ps as the initial cluster
Keywords: liquid crystals, quantum-chemical calculations, modeling
Introduction
Liquid crystals (LC) are one of the most practically significant materials used in electronic
devices. Quantum-chemical methods allow analyzing changes in their physicochemical properties,
such as structure, energy and other characteristics of molecules. At the same time, cooperative
effects in LCs stimulated the development of Monte Carlo methods and molecular dynamics. The
search for suitable intermolecular interaction potentials that determine the existence of long-range
orientation ordering in the mesophase is based mainly on mean field theory. The dispersion
interaction is actually considered as the main one. Further improvement of the mesogenic properties
of the compounds is impossible without detailing the processes occurring in them. The methods of
the statistical theory do not allow in most cases to see firsthand the results of the changes occurring
in systems of many particles. The cooperative features of molecular processes are very often
obscured by the approximations made. The method of molecular dynamics in the approximation of
the liquid aggregate state [1-4] proved effective in predicting the experimentally observed physical
processes in the LC.
Nematic liquid crystals based on arylpropargyl esters of phenols (APEF) are a promising
material for improving the temperature characteristics of liquid crystal devices [5-6]. The results of
modeling the behavior of these LCs [1-4] show the efficiency of using the approximation of the
liquid aggregate state. The peculiarity of this modeling is the placement of the whole ensemble
within a single cell. The initial structures of LC are determined using quantum chemical methods.
It was found that the direction of the dipole moment vectors of p-nitro phenylpropargyl ethers
of p-halogen-phenols will have an angle with the longitudinal axis of the order of 200 [7-8]. This is
less than analogous angles in compounds where the halogen was attached from the opposite side of
Material sciences. Technologies for creating new materials. 49
.
the longitudinal axis [9-10]. The latter are nematic liquid crystals with a dielectric anisotropy Δε<0.
Small angles allow us to expect an inversion of Δε> 0 in these compounds.
The purpose of this work was quantum-chemical investigations of the structure, dipole
moments, and experiments on computer simulation of the behavior of new derivatives of APEP
with substituents in the para- positions of the phenyl fragments of molecules (alkylcyclohexyl, NO2,
F, Cl, CN).
1. The methodology of the analysis
The selection of the optimal simulation parameters (pressure, annealing time, etc.) has been
carried out. Input files determined the geometry and force field of compounds are created. The
initial clusters of molecules were rectangular parallelepipeds with 13x13x7. The compound
structure is optimized by the MOPAC program (MNDO method) from the ChemOffice 8 software
package.
The method of investigation is described in detail in [1-4]. The cut-off radius of the dispersion
interaction was 2 nm. The simulation was carried out for planar orientation of the molecules relative
to the substrate - in the absence of an external electric field. The direction of the director in the
original cluster coincided with the OY axis, and the molecules were located in the XYO planes.
2. Results and discussion
The results of the studies are presented in Tables 1-4 and Figures 1-7.
Table 1 - The values of the heat of formation, dipole moments, the distance between molecules
in the cluster
N Substitute
Heat of formation
(kcal / mol)
Thedipolemoment
(Debye)
The distance between
molecules, nm
1 F 33.13919 0.853 1.577 -0.609
Magnitude: 1.893
OX=1, OY=2,
OZ=0.5, dY=0.7
2 Cl 71.85598 0.745 1.619 0.763
Magnitude: 1.939
OX=1, OY=2,
OZ=0.5, dY=0.7
3 NO2 94.28028 0.955 5.310 0.228
Magnitude: 5.400
OX=1, OY=2,
OZ=0.5, dY=0.7
4 CN 110.80447 -0.175 3.202 -1.078
Magnitude: 3.383
OX=1, OY=2,
OZ=0.5, dY=0.7
As can be seen from Table 1, the increase in the heat of formation is accompanied by an
increase in the total dipole moment. The influence of the electronegativity of the substituents on
these quantities is also observed. A violation of the sequence of influence is observed for the
fluorine atom, as was observed in the previously studied APEP [7-8]. In the presence of
mesogenicity, these compounds exhibit a positive dielectric constant, as can be seen from the ratio
of the components of this component (Dy>Dx, Dz, where Y is the component along the longitudinal
axis).
As can be seen in Figure 1, for all the molecules studied, the extended shape is characteristic.
This is an essential sign for the manifestation of LC properties [11].
Modeling experiments of the investigated compounds with substituents - F, Cl, NO2 - were
carried out with 3 variants of arrangement of molecules in the cluster: antiparallel rows and layers
with displacement dY (t01) (see Table 1), parallel rows and layers without displacement (t02),
parallel rows and layers with displacement dY (t03).The annealing was parallel when the same
cluster was exposed at different temperatures.
50 ISSN 1811-1165 (Print) ISSN 2413-2179 (Online) Eurasian Physical Technical Journal, 2017, Vol.14, No.2(28)
Substitute F
Substitute Cl
Substitute NO2
Substitute CN
Fig.1. Structure of the investigated derivatives of APEP with differentsubstitutes
Table 2 - Values of the degree of ordering of compound No. 1 (F) with a change in the
annealing time (5, 10, 30 ps) and the arrangement of molecules in the cluster
T,K t01-10ps t01-5ps t01-30ps t02-10ps t03-10 ps t03-5 ps
290 0.4603 0.414565 0.539676 0.625948
295 0.454473 0.357874 0.528679 0.617798
300 0.439736 0.398367 0.515938 0.574252
305 0.424764 0.386209 0.518831 0.568593
310 0.411515 0.342858 0.493 0.565473
315 0.417073 0.398274 0.496969 0.567098
320 0.430118 0.400321 0.512865 0.556691
325 0.423978 0.401113 0.467554 0.544459
330 0.40541 0.384984 0.445511 0.527549
335 0.425591 0.431944 0.444893 0.523818
340 0.420068 0.524299 0.280301 0.396473 0.464483 0.531818 345 0.41748 0.49725 0.257127 0.339689 0.44517 0.489777 350 0.382757 0.295655 0.436947 0.499915
355 0.386278 0.293524 0.438562 0.52949
360 0.398996 0.3045 0.410904 0.494142
365 0.359401 0.296869 0.446474 0.516354
370 0.341416 0.330586 0.441468 0.498412
375 0.346756 0.280678 0.431653 0.492156
380 0.369219 0.30969 0.40739 0.493688
385 0.345896 0.298739 0.41767 0.493204
390 0.333011 0.280038 0.372791 0.463736
395 0.314398 0.267934 0.378053 0.468935
Material sciences. Technologies for creating new materials. 51
.
Table 3 - Values of the degree of order of compound No. 2 (Cl) at an annealing time of 10 ps
and a change in the arrangement of molecules in the cluster
T,K t01-10ps t02-10ps t03-10ps
335 0.465425 0.13478 0.463834
340 0.494424 0.111805 0.486365
345 0.471234 0.166577 0.441256
350 0.465788 0.159266 0.453947
355 0.465425 0.15067 0.462549
360 0.470781
365 0.458827
370 0.453085
375 0.459482
380 0.468318
Table 4 - Values of the order degree of compound No. 3 (NO2) at an annealing time of 10 ps
and a change in the arrangement of molecules in the cluster
T,K t01-10 ps t02-10ps t03-10 ps
335 0.344494 0.087398 0.505176 340 0.350732 0.03595 0.490799 345 0.359339 0.11849 0.48263 350 0.339836 0.102463 0.473093 355 0.349976 0.086798 0.459534 360 0.480804
365 0.45824
370 0.470316
375 0.489867
380 0.510987
Fig. 2. The values of the order degree S, corresponding to the values from Table 2, the series t03-10ps
As can be seen from Table 2, at low temperatures, the highest order-degree values are observed
for all the cases of computer simulation experiments. In this case, the trend of the order degree is
observed (see Figure 2) - the order degree decreases when the temperature rises. Experiments in the
case of substituents (Cl, NO2) did not proceed so monotonously. As can be seen from Tables 3-4,
52 ISSN 1811-1165 (Print) ISSN 2413-2179 (Online) Eurasian Physical Technical Journal, 2017, Vol.14, No.2(28)
the mentioned trend is poorly traced, and in some cases the modeling process itself is interrupted
(empty fields in the tables).
Preliminary experiments on modeling the behavior of clusters of the investigated molecules
show the possibility of mesogenic properties. Accurate determination of the temperature of phase
transitions requires further adjustment of the modeling method proposed by us [1-4] .
Experiments to determine the melting point of liquid crystals were carried out. The optimal
version of the modeling method was detected simultaneously. A one-component cluster was
constructed containing the previously studied APEP-phenylpropargyl ester of cresol (PEK),
phenylpropargyl ether of p-chlorophenol (PEC), phenylpropargyl ether of p-fluorophenol
(PEF).The initial clusters of molecules were rectangular parallelepipeds with the dimensions -
13x13x17 for PEK and 14x14x17 for PEC, PEF. Sequential annealing of the cluster (1), parallel
annealing of the cluster (2), sequential annealing with a 1 × 107 V / m (3) field applied, sequential
annealing with the grid (4) simulation parameter (this parameter changes the atomic search
function, which in some cases allows reduce simulation time).
4,05
4,1
4,15
4,2
4,25
4,3
4,35
4,4
4,45
315 320 325 330 335 340 345 350
T, K
Sinf
1 2 3 4
Fig.3. Temperature dependence of the information entropy of the FEK cluster
Fig.4. Temperature dependences of the binding energy of the FEK cluster
275000
280000
285000
290000
295000
300000
305000
315 320 325 330 335 340 345 350
T, K
1 2 3 4
E, J/mole
Material sciences. Technologies for creating new materials. 53
.
4,25
4,3
4,35
4,4
4,45
4,5
4,55
4,6
320 325 330 335 340 345 350 355
T, K
Sinf
1 2 3 4
Fig.5. Temperature dependence of the information entropy of the PEC cluster
Fig.6. Temperature dependences of the binding energy of an FEC cluster
4,38
4,4
4,42
4,44
4,46
4,48
4,5
4,52
4,54
4,56
4,58
290 295 300 305 310 315 320
T, K
Sinf
1 2 3 4
Fig.7. Temperature dependence of the information entropy of the PEF cluster
Based on the temperature dependences of the information entropy and binding energy of the
investigated clusters (Figures 3-8), as well as the flexibility of modeling to find the melting point from these
methods, method 2 was chosen.
The increase in alkyl chains can lead to the appearance of smectic mesophases [11]. Therefore,
quantum-chemical studies of such new derivatives of APEP with substituents in the para- positions of the
phenyl fragments of molecules (alkyl radical, NO2, F, Cl, etc.) were carried out.
306000 308000 310000 312000 314000 316000 318000 320000 322000 324000 326000
320 325 330 335 340 345 350 355
T, K
1 2 3 4
E, J/mole
54 ISSN 1811-1165 (Print) ISSN 2413-2179 (Online) Eurasian Physical Technical Journal, 2017, Vol.14, No.2(28)
Fig.8. Temperature dependences of the binding energy of the PEF cluster
Research results are shown in Figures 9-12 and Table 5. As can be seen from Table 5, an
increase in the heat of formation is accompanied by an increase in the total dipole moment.
Substitute F
Substitute Cl
Substitute NO2
Fig.9. Structure of the investigated derivatives of APEP with different substitutes
Table 5 - The values of the heat of formation, dipole moments, the distance between molecules in the
cluster
№ Substitute
Heat of formation (kcal / mol)
The dipole moment
(Debye) The distance between
molecules, nm 1 F 13.83470 0.862 1.638 -0.663
Magnitude: 1.967 OX=1, OY=3, OZ=0.5, dY=0.7
2 Cl 52.85321 0.744 1.634 0.712
Magnitude: 1.931 OX=1, OY=3, OZ=0.5, dY=0.7
3 NO2 75.00224 0.861 5.427 0.391
Magnitude: 5.509 OX=1, OY=3, OZ=0.5, dY=0.7
325000
330000
335000
340000
345000
350000
355000
290 295 300 305 310 315 320
T, K
1 2 3 4
E, J/mole
Material sciences. Technologies for creating new materials. 55
.
The influence of the electro-negativity of the substituents on these quantities is observed. A
violation of the sequence of influence is observed for the fluorine atom, as was observed in the
previously studied APEF [5-6]. In the presence of mesogenicity, these compounds have a positive
dielectric constant, as can be seen from the ratio of the component components of this quantity
(Dy>Dx, Dz, where Y is the component along the longitudinal axis). It has been established that
increasing the length of molecules leads to a decrease in the heat of formation (Tables 1 and 5). It is
shown that for all the molecules studied, the extended shape is characteristic (Figure 9).
-0,3
-0,2
-0,1
0
0,1
0,2
0,3
0,4
295 315 335 355 375 395 Т, К
S
Sxx Syy Szz
Fig.10. Values of the order degree of compound No. 1 (F). The cluster size is 13x13x3, the interval of
parallel annealing temperatures is from 300 to 400 K in steps of 2 K.
-0,3
-0,2
-0,1
0
0,1
0,2
0,3
0,4
0,5
295 315 335 355 375 395 Т, К
S
Sxx Syy Szz
Fig.11. Values of the order degree of compound No. 1 (F). The cluster size is 13x13x4, the interval of
parallel annealing temperatures is from 300 to 400 K in steps of 2 K.
-0,4
-0,3
-0,2
-0,1
0
0,1
0,2
0,3
0,4
0,5
0,6
295 315 335 355 375 395 Т, К
S
Sxx Syy Szz
Fig.12. Values of the order degree of compound No. 1 (F). The cluster size is 13x13x7, the interval of
parallel annealing temperatures is from 300 to 400 K in steps of 2 K.
56 ISSN 1811-1165 (Print) ISSN 2413-2179 (Online) Eurasian Physical Technical Journal, 2017, Vol.14, No.2(28)
Preliminary experiments on modeling the behavior of clusters (substituent-fluorine atom,
Figures 10-12) show a high probability of manifestation of LC properties of the molecules under
study. However, a more accurate prediction of the values of the temperatures of the phase
transitions requires further studies on the correlation of the method used.
Conclusion
Thus, on the basis of the investigations carried out, it was established that it was found that the
dipole moments, the heats of formation, and the electro-negativity of the new APEP derivatives as a
whole correlate with each other. It is shown that their structures have an extended structure that can
contribute to the manifestation of liquid crystal properties. The changes in the degree of order with
increasing temperature in conjunction with the fluorine atom correspond to this assumption. It is
established that parallel annealing is the best approach for such studies. It was found that an
increase in the length of the molecules, in the presence of mesogenicity, will have a positive
dielectric anisotropy. It is found that the search for phase transition temperatures is better performed
by using an annealed cluster at 10 ps as the initial cluster.
REFERENCES
1 Agelmenev M.E., Muldakhmetov Z.M., Bratukhin S.M., Pak V.G., Polikarpov V.V., Yakovleva O.A
The dynamics of some nematic liquid crystals. Molecular Crystals and Liquid Crystals. 2008, Vol. 494,
pp.339–352.
2 Agelmenev M.E., Bratukhin S.M., Muldakhmetov Z.M., Polikarpov V.V.. Mesogenic System
Simulation in the Liquid State of Aggregation. Russian J. Phys. Chem. A. 2010, Vol. 84, No. 7, pp. 1158–
1162.
3 Agelmenev M.E. The modeling with free boundary. Molecular Crystals and Liquid Crystals. –
2011, Vol. 545, No.1, pp. 190 – 203.
4 Agelmenev M.E., Muldakhmetov Z.M., Bratukhin S.M., Polikarpov V.V. The influence of the nano
substrate on the nematic liquid crystals behavior. Molecular Crystals and Liquid Crystals. 2011, Vol. 545,
No.1, pp. 36 – 43.
5 Agelmenev M.E., K.T. Bazhikov, Muldakhmetov Z.M., Sizykh M.Yu. Effect of the Nature of
Halogen on the Acetylene Compounds. Russian J. Phys. Chem. 2002, Vol. 76, No. 10, pp. 1713 – 1714.
6 Muldakhmetov Z.M., Agelmenev M.E., Sovetov E.S. Effect of substituents on the mesomorphism
of acetylene compounds. Russian J. Phys. Chem. 1999, Vol.73, No.11, pp. 1881 – 1882.
7 Agelmenev M.E. Influence of functional group NO2 for properties of liquid crystals based on
propargyl ethers containing acetylenyl. Izvestiya NAN RK (Kazakhstan). Ser. Chem. 2002, No.5, pp. 35 – 38.
[in Russian]
8 Agelmenev M.E., Muldakhmetov Z.M., Irgasheva O.B. Quantum-chemical studies of new
compounds based on arylpropargyl esters of phenols. Bulletin of the University of Karaganda. Ser.
Chem. 2005, No. 3(35), pp. 17 – 20. [in Russian]
9 Agelmenev M.E. Controling of the optoelectronic materials properties (liquid crystals,
semiconductors A2B6). Karaganda: IOSU, 2002, 198 p. [in Russian]
10 Agelmenev M.E. The inversion the sign of the dielectric anisotropy of the mesogenicpropargyl
ethers containing acetylenyl. Izvestiya NAN RK (Kazakhstan). Ser. Chem. 2002, No. 5, pp. 20 - 26. [in
Russian]
11 Sonin A.S. Vvedenie v fiziku zhidkikh kristallov (Introduction to the Physics of Liquid Crystals)
Moscow: Nauka, 1983, 320p. [in Russian]
Article accepted for publication 22.11.2017
Material sciences. Technologies for creating new materials. 57
.
UDK: 532.783:541.1:539.21:535.37
MODELING OF SYSTEM THAT BASED ON NEMATIC LIQUID
CRYSTALS, DOUBLE WALL CARBON NANOTUBE
AND FULLERENE MOLECULES C60
1Agelmenev M.E., 2Bratukhin S.M., 2Polikarpov V.V.,
3Bektasova G. S., 3Sabiev S. Y., 4Salkeyva A.K.
1Karaganda State University named after E.A. Buketov, Kazakhstan, [email protected] 2Central Kazakhstan Academy, Karaganda, Kazakhstan
3East Kazakhstan State University named after S. Amanzholov, Ust-Kamenogorsk, Kazakhstan 4Karaganda State Technical University, Karaganda, Kazakhstan
The paper presents the results of computer simulation of the behavior of nematic liquid crystals
in the presence of fullerene molecules and a double wall carbon nanotube. 10 cases of arrangement
of system components relative to each other were investigated. Arylpropargyl esters of phenols were
used as nematic liquid crystals. It is shown that polarity complicates the processes taking place in
the system. It was found that the temperature dependences of the information entropy of the liquid
crystals correlate with a change in the orderliness of these compounds. It was found that the
arrangement of fullerene molecules at the ends of carbon nanotubes leads to a decrease in the
orderliness of the liquid crystals.
Keywords: liquid crystals, fullerenes, carbon nanotubes, modeling
Introduction
The discovery of numerous types of nanostructures, for example, carbon nanotubes (CNTs),
fullerene molecules [1-2], led to the development of various methods for their production and their
production on an industrial scale. The improvement in the physicochemical properties of
nanocomposite materials determines the efficiency of the operation of optoelectronic devices based
on them. Dispersing small amounts of nanostructures, such as carbon nanotubes, fullerenes [3-5] in
the medium of liquid crystals, can significantly improve important characteristics-response times,
threshold electric field voltages, and others. It is known [6-7] that carbon nanotubes often form
aggregates of different configurations among themselves. Investigation of the behavior of liquid
crystals [8-9] in the presence of parallel carbon nanotubes made it possible to detect the movement
of LC molecules with one carbon nanotube to another. No less interesting is the fact that the crystal
structure is formed by fullerene molecules [1-2].
In this respect, the question of the effect of aggregations of carbon nanotubes and fullerene
molecules of various morphologies on the behavior of nematic liquid crystals is interesting in this
sense. Therefore, the aim of this work was to study the effect of complexes of different structures
containing carbon nanotubes and fullerene C60 molecules on the behavior of liquid crystal
molecules by molecular dynamics methods.
1. The methodology of the analysis
Three-component clusters containing the polar molecule of the phenylpropargyl ether p-
fluorophenol (PEF) [10], the nonpolar - phenylpropargyl ether p-cresol (PEK) [11], a double wall
carbon nanotube and fullerene C60 molecules were created.
58 ISSN 1811-1165 (Print) ISSN 2413-2179 (Online) Eurasian Physical Technical Journal, 2017, Vol.14, No.2(28)
The type of the structure of a double wall carbon nanotube corresponded to a zigzag structure
with a length of 29.919 nm, an internal (8.0) radius of 0.31 nm, an outer radius (17.0) of 0.66 nm.
Clusters were 3 layers of LC molecules around a carbon nanotube. The distance between the planes
(OZ) was 0.4 nm PEF and 0.5 nm PEK, by OY 1.6 nm for all molecules (this direction coincides
with the direction of the director and the axis of the carbon nanotube) displacement along this axis
between neighboring molecules 0, 7 nm.Neighboring LC molecules were located antiparallel to
each other. The distance along the arc (OX) is 0.7 nm. The fullerene C60 molecules were arranged
in two layers around the carbon nanotube: the nearest molecules in the layer were shifted in OY by
0.7 nm, the arc distance (OX) was 1 nm, from the surface of the carbon nanotube to the center of
the nearest molecule - 1 nm and between the centers of neighboring nanotubes molecules of
different series - 1 nm. In the inner layer contains 10, in the outer layer - 16 molecules of fullerenes.
The distance between the fullerene molecule and the nearest LC molecule was 2 nm. The C-C
distance in the carbon nanotube was 1.421 Ǻ. The carbon nanotube was "frozen", and the fullerene
molecules were not "frozen", that is, they were simulated, as well as the LC molecules.
To simulate the behavior of these compounds, the molecular dynamics method based on the
GROMACS program [12], version 3.3.1, was used in the approximation of the liquid aggregate
state [13-15]. At modeling the NPT ensemble is used. The cutoff radii of the dispersion and
Coulomb interactions were 2 nm. Sequential annealing in the heating mode was carried out.
Computer simulation was carried out for the case of a planar orientation of LC molecules with
respect to a carbon nanotube in the presence of an electric field. The annealing time at one
temperature was 10 ps, but the cluster was located in the same cell as the liquid aggregate state of
the system was realized, and the electric field strength was 1x107 V / m and directed both along the
axis of the carbon nanotube (Ey) and perpendicularly her (Ex). An input file was created to form a
cluster in which the distance between molecules, rows and cluster layers in the XYZ directions was
taken into account 10 cases of arrangement of system components relative to each other were
investigated (Table 1).
Table 1 - Structure and number of components of the system "CNT-C60-LC"
№ Location C: 60
relative to
CNTs
A
molecule
of LC
Numb
er of
LC
Numb
er of
С:60
Number of rows in layers Number
of
LCD in
a row
1 2 3
П1 centre PEK 612 26 12 17 22 12
П2 centre PEF 429 26 8 11 24 13
П3 end PEK 612 26 12 17 22 12
П4 end PEF 429 26 8 11 24 13
П5 centre - end PEK 561 52 12 17 22 11
П6 centre - end PEF 396 52 8 11 24 12
П7 end - centre -
end
PEK 510 78 12 17 22 10
П8 end - centre -
end
PEF 363 78 8 11 24 11
П9 end - end PEK 561 52 12 17 22 11
П10 end - end PEF 396 52 8 11 24 12
The technique for preparing and conducting experiments on computer modeling is described
[12-15].
Material sciences. Technologies for creating new materials. 59
.
2 Results and discussion
The results of the studies are presented in Figures 1-6.
PEK(Ex)
0
0,1
0,2
0,3
0,4
0,5
0,6
0,7
320 340 360
T,K
Syy
П1 П3 П5
П9 П7
PEK(Ey)
0
0,1
0,2
0,3
0,4
0,5
0,6
320 340 360
T,K
Syy
П1 П3 П5
П9 П7
Fig. 1. Temperature dependence of the order degree of PEK for various directions of the
electric field.
PEF(Ex)
0,15
0,17
0,19
0,21
0,23
0,25
0,27
0,29
0,31
0,33
0,35
295 315 335
T,K
Syy
П2 П4 П6
П10 П8
PEF(Ey)
0,19
0,21
0,23
0,25
0,27
0,29
0,31
0,33
295 315 335
T,K
Syy
П2 П4 П6
П10 П8
Fig. 2. Temperature dependence of the order degree of PEF for various directions of the
electric field.
As can be seen in Fig. 1, the order degree of PEK decreases with increasing temperature, and,
especially, in cases of spatial limitation of fullerene molecules by LC molecules (П5, П7, П10). The
direction of the electric field does not change this pattern. In the case of the polar molecule PEF
(Figure 2), the situation is complicated by the decay of dimers in the mesophase region [16]. This
leads to a loss of a monotonic decrease in the curves with increasing temperature. But here again the
spatial limitation of LC by fullerene molecules leads to a decrease in order
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PEK(Ex)
4,25
4,3
4,35
4,4
4,45
4,5
4,55
4,6
320 330 340 350 360
Т, К
Sinf
П1 П3 П5
П9 П7
PEK(Ey)
4,25
4,3
4,35
4,4
4,45
4,5
4,55
4,6
320 330 340 350 360
Т, К
Sinf
П1 П3 П5
П9 П7
Fig.3. Temperature dependence of the information entropy PEK for various directions of the electric field.
PEF(Ex)
4,535
4,54
4,545
4,55
4,555
4,56
4,565
4,57
4,575
4,58
4,585
4,59
295 305 315 325 335
Т, К
Sinf
П2 П4 Р6
Р10 П8
PEF(Ey)
4,54
4,545
4,55
4,555
4,56
4,565
4,57
4,575
4,58
4,585
295 305 315 325 335
Т, К
Sinf
П2 П4 Р6
Р10 П8
Fig.4. Temperature dependence of the information entropy PEF for various directions of the electric field.
The temperature dependences of the information entropy of PEK and PEF (Figures 3 and 4)
are consistent with a change in the orderliness of these compounds.
Fig.5. Temperature dependence of the information entropy PEK for various directions of the electric field.
PEK(Ex)
80000
82000
84000
86000
88000
90000
92000
94000
96000
98000
320 330 340 350 360
T, K
Eb,kJ/mole
П1 П3 П5 П9 П7
PEK(Ey)
80000 82000 84000 86000 88000 90000 92000 94000 96000 98000
320 330 340 350 360
T, K
Eb, kJ/mole
П1 П3 П5 П9 П7
Material sciences. Technologies for creating new materials. 61
.
Fig.6. Temperature dependence of the information entropy PEF for various directions of the electric field.
A change of the configuration of the system under study shows that the restriction of LC to
fullerene molecules leads to a decrease in the ordering of the LC. This leads to a decrease in the
binding energy between the LC molecules (Figures 5 and 6). The analysis of the images of the
system under study shows that the components are stable in their initial positions under temperature
influence.
Conclusion
As is known, the results of many technological processes lead to a simultaneous combination
of different carbon nanostructures. We have various 10 combinations of fullerene molecules and a
carbon two-walled nanotube in the presence of nematic liquid crystals. Earlier, we showed that the
morphology of the combination of nanotubes strongly affects the behavior of liquid crystals.
Arylpropargyl esters of phenols were used as nematic liquid crystals. It was found that the
temperature dependences of the information entropy of the LC correlate with a change in the
orderliness of these compounds. It was found that the arrangement of fullerene molecules at the
ends of CNTs leads to a decrease in the orderliness of the LC.
REFERENCES
1 Iijima S. Helical microtubules of graphitic carbon. Nature. 1991, Vol. 354, pp. 56 – 58. 2 Dresselhaus M.S., Dresselhaus G., Eklund P.C. Science of Fullerenes and Carbon Nanotubes.
Academic Press, New York. 2000, 965 p. 3 Dierking I., Scalia D.G.I., Morales P. Liquid crystal-carbon nanotube dispersions. J. Appl. Phys. –
2005, Vol. 97, pp. 044309 – 11. 4 Basu R., Iannacchione G. Nematic anchoring on carbon nanotubes. J. Appl. Phys.Lett. 2009, Vol. 95,
pp. 183105-08. 5 Kamanina N.V. Reverse saturable absorption in fullerene-containing polyimides. Applicability of the
Forster model. Opt. Commun. 1999, Vol. 162, Issue 4–6, pp. 228 – 232. 6 Tu Y., Xiu P., Wan R., et.al. Water-mediated signal multiplication with Y-shaped carbon nanotubes.
Proc. Nation. Acad. Scien. USA. 2009, Vol. 106, pp. 18120 – 18124. 7 Zsoldos I., KakukGy., Janik J., et al. Set of carbon nanotube junctions. Diamond & Related Materials.
2005, Vol. 14, pp.763 – 765. 8 Agelmenev M.E., Muldakhmetov Z.M., Bratukhin S.M et al. Influence on the behavior of nematic
liquid crystals of a combination of 2 nano structures of different reliefs. Izv. NAN RK. Ser.Chym. i Tech. 2011, No. 6, pp. 8 – 13. [in Russian]
9 Agelmenev M.E., Muldakhmetov Z.M., Bratukhin S.M., et al. Influence of the kind of combination of carbon single-walled nanotubes on the behavior of smectic liquid crystals. Vestnik NAN RK. 2013. No. 1, pp.16 – 32. [in Russian]
PEF(Ex)
64000
66000
68000
70000
72000
74000
76000
78000
295 305 315 325 335
T, K
Eb,kJ/mole
П2 П4 П6
П10 П8
PEF(Ey)
64000
66000
68000
70000
72000
74000
76000
78000
295 305 315 325 335
T, K
Eb,kJ/mole
П2 П4 П6
П10 П8
62 ISSN 1811-1165 (Print) ISSN 2413-2179 (Online) Eurasian Physical Technical Journal, 2017, Vol.14, No.2(28)
10 Agelmenev M.E., Bazhikov K.T., Muldakhmetov Z.M., Sizykh M.Yu. Effect of the Nature of Halogen on the Acetylene Compounds. Russian J. Phys. Chem. 2002, Vol. 76, No. 10, pp. 1713 – 1714.
11 Muldakhmetov Z.M., Agelmenev M.E., Sovetov E.S. Effect of substituents on the mesomorphism of acetylene compounds. Russian J. Phys. Chem. 1999, Vol. 73, No. 11, pp. 1881 – 1882.
12 Van der Spoel D., Lindahl E., Hess B., et al. GROMACS User Manual version 3.3.1. Available at: www.GROMACS.org
13 Agelmenev M.E., Muldakhmetov Z.M., Bratukhin S.M., et al. The Dynamicsof Some Nematic Liquid Crystals. Mol. Crys.Liq. Cryst. 2008, Vol. 494, pp. 339 – 352.
14 Agelmenev M.E., Bratukhin S.M., Muldakhmetov Z.M., Polikarpov V.V. Mesogenic System Simulation in the Liquid State of Aggregation. Russian J. Phys.Chem. A. 2010, Vol.84, No.7, pp.1158–1162.
15 Agelmenev M.E. The modeling with free boundary. Mol. Crys.Liq. Cryst. 2011, Vol.545, No. 1, pp.190 – 203.
16 Agelmenev M.E., Muldakhmetov Z.M., Bratukhin S.M., et.al. The study of the effect of C60 fullerene molecules on the behavior of certain smectic liquid crystals. DAN NAN RK. 2013, No. 1, pp. 52 – 57. [in Russian]
Article accepted for publication 22.11.2017
Material sciences. Technologies for creating new materials. 63
.
UDC 57.013
MIGRATION OF OPTICAL EXCITED STATES OF THE MODIFIED
CHROMIUM COMPLEXES OF COLLAGEN
Kumekov S.E.1, Saitova N.K.1, Syrgaliyev E.O.2
1Hi-Tech Engineering Institute of Kazakh National Research Technical University named after K.I.Satpaev,
Almaty, Kazakhstan, [email protected] 2University of Power and Communication, Almaty, Kazakhstan
Photoluminescent properties of the collagen modified by chrome complexes are investigated. The
analysis of the spectra of a photoluminescence at excitation in ultra-violet area shows that intrinsic
photoluminescence of collagen undergoes a quenching with the increase of content of chromic
complexes. In the modified collagen luminescence ranges are also deformed with full quenching of
phenylalanine peak. The kinetics of decay of a photoluminescence of samples of the native and modified
collagen, samples of phenylalanine and a tyrosine is measured. With the increase of content of chrome
complexes in the modified collagen there is a redistribution of the dominating role of the radiating
centers of collagen from the phenylalanine residue to tyrosine residue.
Keywords: Photoluminescence, collagen, phenylalanine, tyrosine, chrome, quenching.
INTRODUCTION
In [1] were represented optical properties of native collagen. Optical properties of native
collagen are determined by presence of aromatic amino acids such as phenylalanine, tyrosine and
tryptophan. Earlier [2] it was shown that the fluorescence spectra of native collagen excited in the
near ultraviolet and visible regions have of excimer nature and are determined by presence of
phenylalanine, tyrosine. Recently in [3] were discussed the nature of fluorescence of carbon
containing nanostructured objects including collagen. In the present work, it was experimentally
found that when excitation of collagen occurs in the near ultraviolet region of the spectrum in the
presence of chromium complexes in the fibrous structure of collagen, the quenching of the excimer
fluorescence of collagen is observed. When the collagen is modified by chromium complexes, the
shape of the photoluminescence (PL) spectra, its half-width and the position of the maximum are
changed, and the screening of the exciting radiation by chromium complexes is the dominant
mechanism of quenching of collagen luminescence.
This circumstance is due to the fact that in the near ultraviolet region of the spectrum the
values of the absorption coefficient of light by impurity centers, chromium complexes, considerably
exceed the values of the absorption coefficients of the radiating collagen centers.
1. Materials and methods
Samples for the study of collagen modified with chromium complexes (CMCC) were prepared
according to the standard method for natural chrome tanned leathers [4]. As a control drug, a
sample of native collagen (NC) was used. Determination of chromium content in the samples
(CMCC) was carried out according to the method developed earlier [4]. The PL spectra and kinetics
were measured on a DFS-12 unit with an FEU-100. PL excitation was carried out by the emission
line of 337 nm of the nitrogen laser LGI-505. The measurements were carried out at room
temperature.
64 ISSN 1811-1165 (Print) ISSN 2413-2179 (Online) Eurasian Physical Technical Journal, 2017, Vol.14, No.2(28)
Below, we present experimental data of the effect of chromium complexes on the behavior of
excimer luminescence of collagen upon excitation in the near ultraviolet region of the spectrum.
Fig. 1 (a) shows the photoluminescence spectra of CMCC samples with different mass content of
chromium (in terms of chromium atom) with the ND spectrum. As can be seen from the figure, the
spectrum of native collagen is a broad band with two maxima at 384 and 417 nm.
An increase in the chromium content leads to deformation of the CMCC spectrum due to
quenching of the long-wave band with a maximum of 417 nm, and in the sample with a maximum
chromium content (1.1%), the PL spectrum is represented by one bell-shaped band with a maximum
at 384 nm. As it was shown earlier [3] aromatic residues of phenylalanine participates mainly in the
formation of PL spectra of collagen in the visible region of the spectrum with a maximum at 417
nm at the exciting the 337-nm line.
a) b)
Fig.1. PL spectra at ex = 337 nm of a-samples of CMCC with different chromium content:
NC 1-0%, 2-0.1%, 3-0.6%, 4-1.1%; b-phenylalanine (1) and tyrosine (2).
To establish the origin of the PL band of native collagen with a maximum at 384 nm, we
performed additional measurements of the shape of the PL spectra of preparations of phenylalanine
and tyrosine, whose aromatic residues can form excimer centers in the fibrous structure of collagen.
These experimental data are presented in Fig. 1 (b). Comparison with the spectra of PL preparations
of phenylalanine and tyrosine in Fig. 1b allows us to identify these maxima at 384 and 417 nm with
the maxima of the spectra of tyrosine and phenylalanine, respectively. Comparison of the curves
shown in Fig. 1 (a) and 1 (b), allows us to conclude that the ultraviolet luminescence band of
collagen with a maximum at 384 nm is due to the excimer luminescence of tyrosine residues.
An additional analytical characteristic for the identification of PL spectra is the measurement
of the kinetics of PL decay. Therefore, we measured the kinetics of the fluorescence decay of the
samples of NC, CMCC, phenylalanine and tyrosine preparations. It was shown in [3] that the
kinetics of tyrosine fluorescence is characterized by shorter times than for phenylalanine. The ones
shown in Fig. 2 (a) and 2 (b), the curves show that an increase in chromium in CMCC samples
leads to a transition from the "phenylalanine" kinetics of PL decay to "tyrosine" and, accordingly, to
a shortening of the characteristic PL damping time from 10 ns to 5 ns.
The obtained experimental data allow to draw a conclusion that in collagen there are two types
of excimer-forming centers - physical dimers formed by the residues of phenylalanine and tyrosine
residues.
Material sciences. Technologies for creating new materials. 65
.
In samples of CMCC with an increase in the chromium content, the dominant role of the
learning centers of collagen from the phenylalanine residue to the tyrosine residue is redistributed.
In the CMCC samples with the maximum chromium content (1.1%), the luminescence of the
phenylalanine "excimers" is completely extinguished.
2. The discussion of the results
To explain the experimental data obtained, we carried out the following analysis. It is known
[5-6] that chromium complexes almost do not absorb light in the near ultraviolet region (250-400
nm), but they have an intense wide characteristic absorption band from 400 to 500 nm.
Consequently, the redistribution of the dominant role of the radiating centers of collagen from the
phenylalanine residue to the tyrosine one is due precisely to the absorption characteristics of the
chromium complexes. The picture of the process can be represented as follows.
a) b)
Fig.2. The kinetics of PL decay at ex = 337 nm of CMCC a -samples with chromium content:
1-0%, 2-0.1%, 3-0.6%, 4-1.1%, 5-laser; b -phenylalanine (1) and tyrosine (2).
When the native collagens sample is illuminated, light quanta are absorbed by both
"phenylalanine" and “tyrosine” excimer-forming centers. The relaxation of the excited state of these
centers (decay of the excimer) leads to the formation of a luminescence of collagen. In the CMCC
samples, the visible luminescence of the "phenylalanine" excimers is absorbed (internal screening)
by chromium complexes, and at the maximum chromium concentration we observe complete
quenching of the luminescence of the "phenylalanine" excimers.
Conclusions
Investigation of the spectra and kinetics of PL decay of the native and collagen-modified
chromium complexes has made it possible to draw a conclusion about the mechanism of quenching
of luminescence in modified collagen consisting of energy migration from the phenylalanine to the
tyrosine center of luminescence.
The research of these objects is related to the prospects of application due to a unique
combination of a number of key properties including tunable photoluminescence, important for the
development of tunable lasers, as well as biomedical applications where photostability,
biocompatibility, molecular dimensions are essential, allowing a chemical connection with any
biomolecule, without jeopardizing its function.
66 ISSN 1811-1165 (Print) ISSN 2413-2179 (Online) Eurasian Physical Technical Journal, 2017, Vol.14, No.2(28)
ACKNOWLEDGEMENTS
The research was carried out within the framework of the grant of the Science Foundation of the
Republic of Kazakhstan No.1138205 in the direction “Rational use of natural resources”, 1242090.
REFERENCES
1 Sinichkin Yu.P., Kollias N., Zonios G., Utz S.R., Tuchin V.V. Back reflectance and fluorescence
spectroscopy of the human skin in vivo // In Handbook on Optical Biomedical Diagnostics and Imaging / Ed.
V.V. Tuchin – Bellingham, SPIE Press, 2002. - P. 725-785.
2 Volkov A.S., Kumekov S.E., Syrgaliev E.O., Chernyshov S.V. Photoluminescence and anti-stokes
emission of native collagen in visible range of the spectrum. Biophysics. 1991, No. 36 (5), pp.770 – 773.
3 Kumekov S.E., Saitova N.K., Syrgaliyev E.O. Spectra of photoluminescence of carboncontaining
nanostructured objects. Eurasian Physical technical journal. 2016, V. 13, No. 2 (26). pp. 69-73.
4 Strakhov I.P. et al. Chemistry and Technology of Skin and Fur. Moscow, Legprombytizdat, 1985,
496 p.
5 Bersooker I.B. Electronic structure and properties of coordination compounds. Chemistry,
Leningrad, 1986, 287 p.
6 Schlafer H. L Gausmann H., Witzke H. J. Correlation between the luminescence behavior of
octahedral chromium (III) complexes and the ligandfield strength. Chem. Phys.,
1967, v. 46, № 4, p. 1423-1425.
Article accepted for publication 22.11.2017
Material sciences. Technologies for creating new materials. 67
.
UDC 538.958
RESEARCH OF GRAPHITE AND ALUMINIUM PARTICLES
IN A POLYMER FILM MATRIX
Makhanov K.M., Ermaganbetov K.T., Ismailov Zh.T., Chirkova L.V., Amochaeva G.P., Omarova Zh.T., Askerbekova A.A.
Karaganda State University named after E.A. Buketov, Karaganda, Kazakhstan [email protected]
The paper presents the results of the development of a method for manufacturing graphite and
alumina films in a polymer matrix. The difficulties arising in the formation of films on the surface of
glass and aluminium substrates are determined. It is established that plastic is the best material for
substrates. The results of measuring the electrical parameters of the film resistance are presented. It
was found that with additional heating of the substrates, the films of graphite particles are made more
homogeneous. These films are stable to mechanical influences, as they do not break down on contact
with the measuring probes.
Keywords: graphite, thin films, polymer matrix, aluminum oxide,resistance, conductivity, nanoparticles
Introduction
Nowadays, carbon films are widely used in engineering and industry [1, 2]. There are various
methods for obtaining carbon films: magnetron sputtering of graphite [3-5], atomization of graphite
by an ion beam [6, 7], laser ablation of a target [8]. All of them require the creation of special
conditions with the use of complex and expensive equipment [9].
The aim of the work is to develop a method for obtaining graphite and alumina films in a
polymer matrix and to study their electro-physical parameters.
It was noted in [10, 11] that if a substance is mechanically cut to the smallest size, then in the
total mass of the particles obtained, some of them may have dimensions on the order of hundreds or
less than nanometers.
It is natural to assume that when obtained powder is dissolved, the rate of settling of the
particles and their distribution along the thickness of the solution will depend on the mass and
dimensions accordingly. First of all, the heaviest particles will drop to the bottom, the particles of
medium size (and mass) will sink to the bottom of the vessel at a lower speed, and the lightest will
be in the upper layers of the solvent, and may remain suspended for a longer time. Proceeding from
this, we proposed a simple [12] technique for the formation of films of graphite and alumina
particles on a solid surface (quartz glass).
An investigation of the absorption spectra of the initial solutions showed [13] that the optical
density of the solutions increases with increasing depth of sampling. Using the method described in
this paper, we obtained films of graphite and alumina particles on the surface of various substrates.
The results of the investigations are presented in [14]. It was found that the films obtained from
samples taken at different solution depths differ in the absorption density. The results of a study of
the microstructure of films with an electron microscope showed that the particle sizes increase with
increasing sampling depth.
The results presented in this paper are the next stage of the experimental work related to the
production of films of graphite particles, both on the surface of the polymer film and in the matrix
of polymer films (PVA).
68 ISSN 1811-1165 (Print) ISSN 2413-2179 (Online) Eurasian Physical Technical Journal, 2017, Vol.14, No.2(28)
1. Methods of forming films on surfaces of various substrates
1.1 The films formation on the surface of glass substrates
The first films in the polymer matrix were formed on the surface of glass substrates. To
achieve homogeneity of graphite films, without any chips or lumens, with close packing in a row,
we prepared polymeric solutions with different concentrations of graphite particles. The resulting
solutions were spread on the surface of the glass substrates. Until complete drying, the film was
aged for 10-12 hours. Then, using tweezers carefully removed from the surface of the substrates.
Repeated experiments using glass substrates showed that PVA films are fastened to their surfaces
rather tightly. And when they tried to remove them, the tapes burst. The result is shown in Figure 1.
Particularly strong sticking is observed for films with a high concentration of graphite.
Fig.1. Film obtained from the surface of a glass substrate.
The next part of prepared polymer solutions with graphite particles was partially applied to the
aluminium substrate and to the plastic substrate.
1.2 The films formation on the surface of aluminium substrates
Consider the situation with the use of aluminium substrates. The surface of the aluminium
substrate was pre-polished, then after chemical cleaning, it was washed under a stream of distilled
water. The films were applied as described above. At the end of the time to dry the time, we found
that the films from the aluminium surface exfoliate unevenly. That is, if the film is saturated with
graphite particles, then it does not exfoliate from the aluminium surface. In this case, the opposite
effect is observed for films with a lower concentration of graphite particles. As they dry up, the
films themselves exfoliate from the surface of the aluminium substrate.
Thus, experiments using glass and aluminium surfaces as substrates showed that the films
strongly stick. As a result the attempt to remove them leads to the destruction of the integrity of
these films. In the case of an aluminium substrate, films are destroyed where the concentration of
graphite particles are high. In this case, an interesting picture is observed, the graphite powder
combines into local groups and forms islands, both on the surface of the polymer film and inside the
film. The lower part of these islets adheres to the surface of the aluminium substrate, and as a result,
it can no longer be torn off.
1.3 Formation of films on the surface and in the matrix of a polymer film
The next series of experiments was carried out using substrates made of plastic materials. It
was found that graphite polymer films, irrespective of the concentration of graphite particles, peel
well from the surface. In general, based on the results of the performed work, we found that the
graphite films in the polymer matrix most closely meet our requirements. The thickness of the films
Material sciences. Technologies for creating new materials. 69
.
does not exceed 200 nanometers, under mechanical influence the film does not collapse and, finally,
it is content with the flexible, which allows it to be shaped as desired. The appearance of graphite
films in PVA with a matrix is shown in Fig. 2.
Fig.2. Appearance of graphite films in a polymer matrix prepared by the first method.
The graphite films shown in Figures 2 and 3 were obtained in two ways. Films presented in
Fig. 2 were obtained by the method which consisted in the fact that the graphite particles were
applied to the polymer film from the outside. Let's consider this method in more detail. The
polymer film was pre-poured onto the surface of a plastic material. Then, the mechanically grinded
graphite particles were transferred to the surface of the polymer film by blowing out an external air
flow. After the entire mass of graphite powder settled on the surface of the polymer film, the top
was covered with a glass cap and left to dry. As can be seen from Fig. 2, the graphite particles are
distributed unevenly in the film. There is also the formation of local areas of accumulation of
particles in islands.
The second method consisted in that the particles of the harvested graphite were mixed in a
polymer solution. After thorough stirring, the solution dripped onto a pre-prepared surface. The
photo of the films prepared in the second way is shown in Figure 3.
Fig.3. Appearance of a graphite film in a polymer matrix prepared by the second method.
70 ISSN 1811-1165 (Print) ISSN 2413-2179 (Online) Eurasian Physical Technical Journal, 2017, Vol.14, No.2(28)
2. Discussion of results
As we see from this figure, the films obtained by the second method turned out to be most
uniform. The thickness of the films obtained also does not exceed 200 nanometres.
As in the case of the first films obtained on the surface of glass or quartz substrates, these films
in the polymer matrix were also measured for electrical resistance. However, unlike the previous
films, while measuring the resistance of these films, we found that there is no electrical connection.
Upon close examination of the surface of the films under an optical microscope, it was found that
most of the graphite particles are inside the polymer film, and a small part on its surface. As a
result, it turned out that the film visually looks uniform with a dense packing of particles, but in
reality consists of torn off from each other local areas. An attempt to eliminate this problem by
reducing the thickness of the polymer matrix has not been successful. The re-manufactured films,
when examined under an optical microscope, were identical to the previous ones. The thickness of
the polymer film decreased, but, however this was not enough, the graphite particles had much
smaller dimensions and, most importantly, they were stratified. While we assumed that
homogeneous particles in the matrix will tend to line up uniform rows and form a denser packing.
Thus, it turned out that the particles of graphite form a homogeneous layer, but these layers do not
bind to each other. It is possible that additional energy is not enough to further combine the
particles.
Based on these considerations, we decided to introduce changes in the procedure for the
production of films. It was necessary to create conditions for additional thermal heating of the
substrates. It was assumed that some of the heat would be transferred to the particles. With an
additional supply of thermal energy, the particles will be able to line up in a row.
The attempt to warm up the aluminium substrate failed. Even with a slight increase in
temperature, the film was deformed. The use of open fire resulted in immediate ignition of the films
on an aluminium substrate. In this regard, it was decided to use only plastic substrates with high
beads. The surface on which the polymer was buried was immersed in a container of hot water. In
this case, the part on which the polymer film dripped remained naturally from the upper side. The
procedure for manufacturing graphite films in a polymer matrix was as follows. A plastic box with
a flat surface is installed in the container. The capacity is filled with hot water to the level of the
side edges. Thus, the surface of the plastic box remains above the surface of the water. A prepared
polymer solution with graphite particles is added to the open part of the plastic surface. Within two
hours from the moment when the polymer film was filled, the plastic box, and therefore the polymer
matrix, is maintained at a high temperature (~ 60 ° C). Thus, supply of additional, external energy is
necessary for aligning graphite particles into homogeneous series. It was expected that we would
obtain a homogeneous, continuous layer of graphite particles.
Conclusion
Recently the carbon, particularly, a form of it as graphite, is one of the active area of research.
The interest is increased due to the discovery of nanotubes, fullerenes and monolayers of a graphite
crystal. It was found that films with a thickness of only a few atomic layers of graphite (graphene),
in their properties are a semimetal with a small overlap of the conduction band and the valence
band. Also, a significant field effect and ambipolar Hall effect were detected, which allows using an
applied external field not only to change the conductivity of the material, but also to change the
main type of charge carriers. The results stimulated further investigation of graphite films.
Observation of the field effect together with metallic conductivity allowed us to assume that
graphite films may be of interest for microelectronics and nanoelectronics.
Modern microelectronics tends to miniaturize. As existing technologies and materials approach
the limit of their capabilities, an active research of new materials and principles of operation of
devices is conducted. Semiconductor materials used in modern microelectronics have some
Material sciences. Technologies for creating new materials. 71
.
fundamental limitations. One of the main ones is the restriction of the concentration and mobility of
charge carriers. The use of all-metal transistors, that is, the use of metal as the main material of
microelectronics, would undoubtedly have a positive effect on the speed and other characteristics of
the devices. However, this idea encounters other obstacles: it is impossible to control the
conductivity of "thick" metal films due to the fact that the field is completely screened already at a
depth not exceeding a nanometer. Films of this thickness cannot be used for these purposes, as they
are extremely unstable.
Our studies of thin-film graphite have shown that the stability of these materials can be
achieved by forming in a polymer matrix. Investigations of the electrical resistance parameters of
films have shown that, on average, this value for films varies in the range from two hundred to three
hundred Ohms.
REFERENCES
1 Yastrebov S.G., Ivanov-Omskiy V.I., Richter A. Fotoliuminestcentciia amorfnogo ugleroda,
vyrashchennogo lazernoi abliatciei grafita. Fizika i Technika Poluprovodnikov, St. Petersburg «Science»,
2003, Vol. 37, Issue 10, pp. 1193 -1196 [in Russian]
2 Gadomsky H.E., Altunin K.K., Ushakov N.M., Kosobudsky I.D., Podvigalkin V.Ya., Kulbatsky D.M
Vysokoeffektivnye prosvetliaiushchie nanostrukturnye opticheskie pokrytiia dlia solnechnykh elementov.
Zhurnal Tekhnicheskoi Fiziki, St. Petersburg «Science», 2010, Vol. 80, Issue. 7, pp. 83 - 89. [in Russian]
3 Oskomov K.W., Soloviev A.A., Rabotkin S.V. Tverdye uglerodnye pokrytiia, nanosimye metodom
impulsnogo silnotochnogo magnetronnogo raspyleniia. Zhurnal Tekhnicheskoi Fiziki. St. Petersburg
«Science», 2014, Vol. 84, Issue. 12, pp. 73 - 76. [in Russian]
4 Kostanovsky A.V., Zhilyakov L.A., Pronkin A.A., Kirillin A.V. Poluchenie tonkikh almaznykh
plenok pri magnetronnom raspylenii grafitovoi misheni. Nanosystems, Nanomaterials, Nanotechnologies.
Institute of Metal Physics G.V. Kurdyumov, the National Academy of Sciences of Ukraine. 2008, Vol. 6,
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5 Zvonareva T.K., Lebedev V.M., Polyanskaya Т.А. et al. Elementnyi sostav i elektricheskie svoistva
plenok a-C: HhCui, poluchennykh magnetronnym raspyleniem. Fizika i Technika Poluprovodnikov. St.
Petersburg «Science», 2000, Vol. 34, Issue 9, pp. 1135 -1141. [in Russian]
6 Borisov A.M., Mashkova E.S., Ekshayn V. Zakonomernosti raspyleniia i elektronnoi emissii grafita
pri vysokodozovom obluchenii ionami azota. Problems of Atomic Science and Technology. Ser.
Thermonuclear fusion. Moscow: National Research Center "Kurchatov Institute".2002, Vol. 1-2, pp.122 -
125. [in Russian]
7 Semenov A.P., Belyanin A.F., Semenov I.A. et al. Tonkie plenki ugleroda. II. Stroenie i svoistva.
Zhurnal Tekhnicheskoi Fiziki. St. Petersburg «Science», 2004, Vol. 74, Issue 5, pp.101 - 104. [in Russian]
8 Shatokhin A.N., Putilin F.N., Roumiantseva M.N., Gas’kov A.M. Issledovaniia energeticheskikh
kharakteristik i kinetiki osazhdeniia metallov iz vakuumnoi lazernoi plazmy na dielektricheskie podlozhki.
Bulletin of Moscow University. Series 2. Chemistry. 2007, Vol. 48, No. 4, pp. 271 – 276. [in Russian]
9 Suzdalev I.P. Nanotechnology: physical chemistry of nanoclusters, nanostructures and
nanomaterials. Moscow: Kom Kniga, 2006, 592 p. [in Russian]
10 Kovtun G.P., Verevkin A.A. Nanomaterials: Technology and Material Science: A Review. Kharkov,
NSC KIPT, 2010, 73 p. [in Russian]
11 Rusanov A.I. Thermodynamic basis of mechanochemistry. St. Petersburg, Science, 2006, 221p.
12 Makhanov K.M., Ermaganbetov K.T., Chirkova L.V., Maukebaeva M.A. Sposob polucheniia
tonkikh plenok grafita i oksida aliuminiia. Zhurnal Tekhnicheskoi Fiziki. St. Petersburg «Science», 2017, 87,
Vol. 7, pp. 1057 – 1060. [in Russian]
13 Makhanov K.M., Ermaganbetov K.T., Chirkova L.V., Maukebaeva M.A. Method for Producing
Graphite and Aluminium Thin Films. Technical Physics. Pleiades Publishing, Ltd. 2017, Vol. 62, No. 7, pp.
1073 -1076.
14 Ermaganbetov K.T., Chirkova L.V., Makhanov K.M. Method of Reserving of Graphite Films and
Oxide of Aluminium in a Polymeric Matrix. Proceedings of the 2017 IEEE 7th Intern.Conference on
Nanomaterials: Applications & Properties (NAP-2017). Zatoka, Ukraine, 2017, Vol. 2. pp. 111 – 114.
Article accepted for publication 06.12. 2017
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UDK 538.9
INVESTIGATION OF THE STRUCTURAL, OPTICAL AND
PHOTOCATALYTIC PROPERTIES OF TIO2 NANOTUBES
Ibrayev N.Kh., Serikov T.M., Zeinidenov A.K. Institute of Molecular Nanophotonics, Karaganda State University named after E.A. Buketov,
Karaganda, Kazakhstan, [email protected]
A method for the synthesis of transparent films based on TiO2 nanotubes has been developed that
possesses sufficient strength for use in photocatalysis. The obtained materials have an ordered
structure of cylindrical pores of controlled diameter with a narrow size distribution. The TiO2
nanotubes spectra were investigated. It is shown that the peaks of Raman spectra are characteristic
for a structure with anatase form. The calculation is based on the photocatalytic efficiency of
nanostructured TiO2 films.
Keywords: anodizing, electrochemical polishing, porous alumina, two-electrode electrochemical cell
Introduction
In recent years, there has been a growing interest in nanomaterials based on titanium dioxide in
connection with their unique physicochemical properties. This is due to the extensive use of TiO2
for various practical applications. Thus, nanomaterials based on titanium dioxide are used in
photocatalysis, solar energy, for cleaning water and air from organic contaminants, as well as for
the destruction of bacteria [1, 2].
Titanium dioxide has a wide forbidden band and its photocatalytic properties begin to appear
when it is irradiated in the ultraviolet region of the spectrum. It is known that the powdery particles
TiO2 (P25, Hombikat UV-100) have the greatest catalytic activity. It is believed that its high
activity is due to the effective separation of charge carriers at the interface between two
semiconductors [3]. Despite the fact that powder particles are highly efficient and inexpensive
photocatalysts, the work to produce TiO2 with improved photocatalytic properties continues [4].
Therefore, at present, to expand the scope of these catalysts, the main emphasis is on the creation of
thin films based on TiO2, since in this form TiO2 is more convenient to use for photocatalysis in a
variety of conditions [5].
In the present work the results of the developed technology for the production of thin-film
material based on titanium dioxide are presented, the structural, photophysical and photocatalytic
properties of the obtained films are studied.
1. Experimental procedure
Synthesis of TiO2 nanotubes was carried out under conditions involving three anodizing stages
at a voltage U = 80 V in a solution of NH4F. Titanium plates (99.99% purity) with a thickness of
250 μm and dimensions of 3.5 × 3.5 cm were used as the starting material. The process of self-
separation of TiO2 films in the third anodizing step is shown in Fig. 1.
The specific surface area of the alumina films was determined by the BET method (Brunauer,
Emmet, Teller). The pore volume and pore size distribution were determined from the isotherm of
adsorption and desorption of nitrogen in the «Sorbi MS» measuring complex (Russia). Before the
measurements, the samples were placed in a special calibrated flask made from a temperature
resistant glass of a special sample «Sintex» for continuous drying and release of samples from
moisture by heating and purging with an inert gas in the additional pre-preparation complex of
«SorbiPrep» samples. The microstructure of the samples was studied by SEM with field emission of
Material sciences. Technologies for creating new materials. 73
.
MIRA 3LMU (Tescan, Czech Republic). A carbon layer was applied to the surface of
nonconducting samples by thermal spraying on a Q150R ES unit (Quorum Technologies, England)
prior to their examination.
Fig.1. Self-separation process TiO2 films
The photocatalytic properties of TiO2 films were studied by photo degradation of dye
molecules of methylene blue (MG) adsorbed on the semiconductor surface.
2. Discussion of the results
The morphology of the surface and transverse cleavage of separated TiO2 films is shown in
Fig. 2. As can be seen from Fig. 2a, the resulting structure of the anodization surface layer is
characterized by a slender system of tightly fitting nanotubes with an internal diameter within 100
nm. On the lower side, the nanotubes are closed and have a hemispherical bottom (Fig. 2b). On the
transverse cleavage of the sample (Fig. 2c), parallel direct nanotubes are located perpendicular to
the surface with an external diameter of the order of 155-200 nm. The thickness of the separated
TiO2 film is 9.56 μm (Figure 2 d).
Fig.2. SEM image of TiO2 film.
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According to the SEM data, the surface of the titanium oxide film is flat and does not contain
characteristic fragments of the endings of titanium dioxide nanotubes. A large area of the film is
shown on the micrograph (Figure 2a), it should be noted that there are no cracks and voids between
the channels. However, the microphotography of the cleavage reveals voids between individual
nanotubes (Figure 2c), such voids are found throughout the thickness of the layer of the porous
layer. The presence of voids can be explained by dissolving a layer of non-stoichiometric titanium
dioxide between the tubes in NH4F, as a result of the penetration of the electrolyte through cracks
or defects in the protective layer of TiO2. An estimate of the specific surface area of TiO2
nanotubes was carried out using the BET method at the Sorbi MS measuring complex (Meta,
Russia). The results obtained showed that the specific surface area of the TiO2 nanotubes obtained
was 55.3 ± 2.0 m2 / g.
Figure 3 shows micrographs of nanotubes synthesized at voltages of 50 V in electrolyte based
on ethylene glycol. The accelerating voltage was 200 kV, the maximum magnification of
microphotographs ×400,000. As can be seen from the figure, the outer and inner diameter of
nanotubes is the same over the entire length of the tubes, which indicates the constancy of the
potential in the anodizing process. The transmission electron microscopy data is in good agreement
with SEM data.
Fig.3. TEM image of TiO2 nanotubes
To determine the composition of TiO2 nanotubes, the elemental composition was studied by
the method of energy-dispersive spectral analysis (Figures 4a). The study of the elemental
composition of the films showed the presence of titanium and oxygen atoms. The insignificant
presence of carbon in the image indicates the presence of an admixture of organic compounds on
the surface of the film.
The insignificant presence of magnesium, fluorine, nickel and copper is associated with the
residues of the impurity from the electrolyte. Using the method of energy-dispersive X-ray
spectroscopy, micro-images of the distribution of chemical elements of TiO2 nanotubes were
obtained and maps of distributions of the main elements were constructed (Fig. 4b). Raman
scattering spectra (Raman scattering) of nanotubes are shown in Fig. 5. It can be seen from the
figure that 3 Eg-peaks can be observed in the Raman spectrum, which are located at 145, 197 and
639 cm-1, 2 B1g-peaks (398 and 518 cm-1). According to the published data [6], the observed
peaks are characteristic for Raman spectra of anatase at room temperature.
Material sciences. Technologies for creating new materials. 75
.
Fig.4. Energy dispersive analysis and distribution maps surface elements of TiO2 nanotubes
Fig.5. Raman spectra of TiO2 nanotube samples.
Figure 6 shows the absorption and luminescence spectra of separated TiO2 films. Figure 6a
shows that the absorption band of TiO2 films has a maximum at a wavelength of = 250 nm. In the
spectra of low-temperature (90 K) luminescence of TiO2 films, an intense band is observed in the
visible region with a maximum at a wavelength λ = 545 nm. The obtained luminescence spectra of
TiO2 are associated with the presence of oxygen vacancies in anatase TiO2 [6].
The kinetics of attenuation of the luminescence of TiO2 nanotubes is shown in Fig. 7. The
kinetics of the luminescence decay were measured with a pulsed spectro-fluorimeter with a
picosecond resolution and recording in a time-correlated photon count (Becker & Hikl, Germany).
The excitation of TiO2 nanotubes was carried out using a semiconductor laser with a λgen = 375 nm
generation wavelength with a pulse duration η = 40 ps. It can be seen from the figure that the kinetic
curve as a whole is a non-exponential function, but at the initial stage of decay the kinetic curve has
an exponential form of damping. The lifetimes of the excited states, calculated from the exponential
part of the TiO2 nanotube decay curves, were 2.4 ns.
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Fig.6. Absorption and luminescence spectra nanotubes TiO2
Fig.7. Luminescence decay kinetics nanotubes TiO2
To evaluate the photocatalytic activity of nanotubes of TiO2 films, the photocatalytic
decomposition of the MG dye in TiO2 nanotubes was used. The sorption of methylene blue dye
molecules in nanotubes was carried out by keeping TiO2 films in an ethanol solution of phosphor
with an initial concentration С' = 10-5
mol / L for 5 hours, followed by drying the films in a drying
cabinet for 1 hour. Figure 8 shows the absorption spectra of MG in TiO2 nanotubes as a function of
the time of irradiation. It can be seen from the figure that when the MH lamp is irradiated with a
mercury lamp PRK-2 for 30 minutes, the optical density of the dye decreases by a factor of 2.
The process of degradation of the methylene blue dye can be represented as follows.
Irradiation with UV light leads to the generation of electron-hole (e– - h
+) pairs in the TiO2
nanostructure due to the absorption of a photon (process 1). Photogenerated electrons in the
conduction band of TiO2 interact with oxygen molecules adsorbed on TiO2, during which
superoxide radicals (О2–) are formed (process 2). In this case, holes in the valence band of TiO2
react with water molecules and contribute to the formation of hydroxyl radicals (OH •) (process 3).
Material sciences. Technologies for creating new materials. 77
.
Fig.8. Absorption spectra of methylene blue in the TiO2 film
Highly reactive hydroxyl radicals (OH •) and superoxide radicals (O2) react with a dye
molecule adsorbed on TiO2 nanostructures and lead to its degradation. During this reaction
discoloration of the dye solution is observed (processes 4 and 5).
(1)
(2)
(3)
OH + organic molecule → degradation product (4)
O-2 + organic molecule → degradation product (5)
The processes occurring during the photocatalytic oxidation of organic compounds are
schematically represented in Figure 9.
Fig.9. Photocatalytic oxidation scheme organic substances on the surface of TiO2
The photocatalytic efficiency of nanostructured TiO2 films in the model photodegradation
reaction of the methylene blue dye was determined by the equation:
78 ISSN 1811-1165 (Print) ISSN 2413-2179 (Online) Eurasian Physical Technical Journal, 2017, Vol.14, No.2(28)
0
0
A
AA , (6)
where A0 is the optical density of the dye without the photocatalyst, A is the optical density of
the dye with the photocatalyst.
The calculations carried out showed that when the dye is photodegraded without a catalyst, =
6.25%. In the case of TiO2 nanotubes, the photocatalytic efficiency was 51.8%.
Conclusion
Thus, the developed method allows to obtain TiO2 nanotube matrices with a highly ordered
structure and with prescribed geometric pore sizes. With scanning electron microscopy, it has been
found that the internal pore diameter is about 100 nm, and the distance between adjacent channels is
about 50 nm. The thickness of the films is 9.56 μm, and the specific surface area of the porous
alumina films, measured by capillary nitrogen condensation, is 55.3 m2 / g. The Raman spectra
obtained show that the TiO2 nanotubes obtained have an anatase structure. It was found that TiO2
nanotubes possess high photocatalytic activity.
Acknowledgment
This work was carried out with the financial support of the Ministry of Education and Science of the Kazakhstan Republic, Grant No. 0088/PCF.
REFERENCES
1 Pileni M.P. Fabrication and physical properties of self–organized silver nanocrystals. Pure Appl.
Chem. 2000, Vol. 72, No. 1–2, pp. 53 – 65.
2 Jin R., Cao Y., Mirkin C.A., Kelly K L., Schatz G.C., Zheng J.G. Photoinduced conversion of silver
nanospheres to nanoprisms. Science. 2001, Vol. 294, pp. 1901–1903.
3 Gaddy G.A., Korchev A.S., McLain J.L., Slaten B.L., Steigerwalt E.S., Mills G. Light–induced
formation of silver particles and clusters in crosslinked PVA/PAA films. J. Phys. Chem. B. 2004, Vol. 108,
pp. 14850–14857.
4 Porel S., Singh S., Harsha S.S., Rao D.N., Radhakrishnan T.P. Nanoparticle–embedded polymer: in
situ synthesis, free–standing films with highly monodisperse silver nanoparticles and optical limiting. Chem.
Mater. 2005, Vol. 17, pp. 9–12.
5 Korchev A.S., Bozack M.J., Slaten B.L. et al. Polymer–initiated photogeneration of silver nano-
particles in SPEEK/PVA films: direct metal photopatterning. J. Am. Chem. Soc. 2004, Vol. 126, pp. 10–11.
6 Zhang H.C, Zhou M., Fu Q., Lei B., Lin W., Guo H., Observation of defect state in highly ordered
titanium dioxide nanotube arrays. Nanotechnology.2014, Vol. 25, pp. 275603.
Article accepted for publication 06.12. 2017
Material sciences. Technologies for creating new materials. 79
.
UDC 535.342, 535.371
INFLUENCE OF KI IMPURITY ON SPECTRAL-KINETIC PROPERTIES
OF POLY (9,9-DI-N-OCTYL FlUORENYL-2,7-DIYL) FILMS
Nurmakhanova A.K.1, Afanasyev D.A.1,2, Ibrayev N.Kh.1
1Institute of Molecular Nanophotonics, Karaganda State University named after E.A. Buketov, Kazakhstan
2 Institute of Applied Mathematics, Karaganda, Kazakhstan, [email protected]
The spectral-fluorescent properties of the semiconductor films of poly (9,9 – di -n-octylfluorenyl-
2,7 - diyl) (PFO) doped with KI impurity have been investigated. The addition of the KI salt leads to a
decrease in the degree of ordering of the PFO films. The complex nature of the dependence of the
photoelectronic processes in the polymer on the impurity concentration KI is determined from an
analysis of the values of the vibronic splitting, the Huang-Riesz factor, the concentration dependence of
the intensity and lifetime of the PFO fluorescence. The addition of KI in the polymer leads to an
increase in the concentration of excited triplet states in films. Analysis of the spectral-kinetic data of
annihilation delayed fluorescence and phosphorescence indicates an increase in the disorder of
polymer films with the addition of the KI salt.
Keywords: poly (9,9 – di -n-octylfluorenyl- 2,7 - diyl), KI salt, optical spectrum, fluorescence kinetics
Introduction
Interest in composite materials based on semiconductor polymers has grown with the
development of organic electronics and photovoltaics. This is due to the possibility of regulating the
optical and electrical properties of polymer composites (PC) [1-3]. Nanoparticles of metals [4, 5],
dyes [3], organic compounds organic compounds with a donor or acceptor properties relatively to
the polymer [6] often act as impurities for polymers. A chemical compounds, leading to the
appearance of the effect of an external heavy atom [7] use as an external impurity. This effect is due
to the enhancement of the inter combination transitions from the electron singlet state to the triplet
state under the action of the spin-orbit interaction [8].
Attention to the effect of an external heavy atom is associated with the possibility of increasing
the concentration of triplet excited states in semiconductor polymers. This can be used to increase
the efficiency of polymer solar cells [9, 10]. Also, this effect can be used in other applied problems,
for example, obtaining the electro-phosphorescence of organic films [11-13].
Adding an external heavy atom to a semiconductor polymer can not only change the speed and
efficiency of the various photophysical reactions, but also change the probability of formation of
free charge carriers in the polymer. Character external impact of heavy atoms on photoelectric
processes in semiconductor polymers remains researched insufficiently. The results of the
investigation of the influence of an external heavy atom on the spectral-luminescent properties of
films of poly (9,9-di-n-octylfluorenyl-2,7-diyl) (PFO) doped with an impurity of KI are given in
this paper.
1. Experimental part
PFO films doped with an inorganic impurity of KI salt are used in the work. The polymer was
used of Sigma-Aldrich and with a molecular weight Mw≥20000. The concentration of the impurity
in the film varied in the range from 0.1 to 1% by weight of the polymer. The films are made by
centrifugation. Thermal annealing of films in an inert atmosphere (Ar2) was performed to increase
the degree of ordering of the films.
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Spectrophotometer Agilent Cary 300 was used for registration of the absorption spectra of the
films. The fluorescence spectra were measured on a Cary Eclipse spectro-fluorimeter of Agilent
company. Kinetics of fast luminescense of films was measured using a pulsed spectro-fluorometer
with picosecond resolution and registration with time-correlated photon counting mode (Becker &
Hickl). Excitation of fluorescence was performed pulsed semiconductor laser with a wavelength
λgen = 488 nm with full width at half maximum of pulse η = 80 ps.
The kinetics of delay fluorescence in the micro- and millisecond time range was measured in a
setup with registration in the photon counting mode [14-15]. The photoexcitation of the samples
was performed by the third harmonic of the neodymium laser LCS-DTL-374QT. The recording part
of the setup includes a photomultiplier with electronic unlocking H7421, a discriminator C8744 and
an electronic pulse counting board M8784 (Hamamatsu Photonics).
2. Results and discussion
The absorption and fluorescence spectra of polymer composites (PC) PFO with KI additives
are measured. In the absorption spectrum of a pure PFO film, a band with a maximum at 380 nm
with an additional peak at 440 nm is observed (Figure 1, curve 1). The addition of KI to the
polymer results in a decrease and a peak shift at 435 nm. It is known that the absorption spectrum of
a highly ordered phase (β phase) PFO film has a pronounced vibronic structure with band maxima
at 435 nm and 400 nm [17, 18]. The absorption spectrum of a disordered polymer film has a broad
band with a maximum at 380 nm. The presence of a peak at 435 nm in the samples under study
indicates the presence of an ordered phase in the polymer film. Addition of the KI impurity in the
PFO leads to an increase in the disorder of the PC.
Using the technique given in [18], the fraction of the crystalline phase in the samples was
estimated. The results are shown in Table 1. Also, the increase in the disorder of PFO films with KI
addition is indicated by an increase in the absorption intensity in the region of 285 nm [18].
0.2
0.4
0.6
0.8
1
1.2
230 280 330 380 430 480
λ, nm
D/Dmax
1
2
3
4
a) b)
Fig.1. The normalized absorption spectra (a) and fluorescence (b) of PFO polymer films with admixture of
KI: 1- PFO; 2- PFO KI 0.1%; 3- PFO KI 0.5%; 4- PFO KI 1%.
From the absorption spectra of polymer films, the energy of the band gap (Eg) of the PFO
polymer was determined upon addition of an inorganic impurity. The results are shown in Table 1.
These results show that the main changes in the width of the band gap for unannealed polymer films
occur when a minimum impurity concentration KI is added. Further growth of the impurity
concentration does not change the width of the forbidden band. Thermal annealing in an inert
atmosphere leads to a significant change in the width of the band gap of the PFO polymer.
Material sciences. Technologies for creating new materials. 81
.
The greatest decrease is observed for a film without the addition of an impurity and with a low
impurity concentration (0.05%). For composite PFO films, there are three peaks in the fluorescence
spectrum with maxima at 440, 460, and 490 nm (Figure 1, b). The luminescent data show that the
glow of the samples under study is due to radiation from the crystalline phase of the PFO polymer
[18, 19]. As shown in [19], in the polymer PFO film in the presence of ordered and disordered
phases a significant singlet-singlet energy transfer from disordered polymer chains to ordered ones
is observed. Therefore, in the presence of an ordered phase of more than 7% from the total value of
the polymer is observed fluorescence only from β phase [17]. Spectral data on the fluorescence of
the samples (Figure 1, b) correspond to the values of the fraction of β phase in films obtained from
the absorption spectra (Table 1).
Table 1. Spectral and kinetic data of PC fluorescence PFO-KI
Sample The proportion of the crystalline
phase in the film (%)
Eg
(eV)
Vibronic splitting
(eV), ΔE
S-
factor
η, ps
PFO 0.23 2.555 0.146 0.95 510
PFO-KI
0.1% 0.10 2.555 0.143 0.86 500
PFO-KI
0.5% 0.15 2.740 0.147 0.66 496
PFO-KI 1% 0.15 2.695 0.141 0.86 413
Addition of an inorganic impurity results in shifts of the fluorescence spectra in the polymer
first to the short-wave region of the spectrum, Figure 3, b curve 3, and then, with increasing
impurity concentration KI, to the long-wave part of the spectrum (Figure 1, b curve 4). A shortwave
shift in the fluorescence maximum is associated with a decrease in the degree of ordering of the
film (Table 1). In this case, the long-wavelength shift of the fluorescence maximum of the PFO–
1% KI film is not related to the degree of ordering of the films.
The value of the vibronic splitting and the Huang-Riesz factor were
calculated for the fluorescence spectra from the formula [21-22]:
(1)
where S is the Huang-Riesz factor.
As shown in a number of papers [20, 21], the growth of the disorder of the PC should lead to
an increase in the Huang-Riesz factor (S). In our case, the growth of the disorder of the PC does not
lead to an increase in the value of S. In this case, there is no change in the magnitude of the vibronic
splitting ΔE observed in other works [22]. Thus, the addition of an impurity KI leads to complex
changes in the fluorescence properties of a PC based on a PFO polymer with an admixture of KI.
The addition of the KI salt also leads to a decrease in the intensity of the fluorescence (Figure
2). Significant quenching of the fluorescence is observed at a low concentration of KI-0.1%. A
further increase in the KI concentration leads to a decrease in the fluorescence intensity of the PC.
Also in Figure 2, the change in the fluorescence lifetime of a PC from the KI impurity concentration
in the nanosecond time range is reflected. The fluorescence lifetime (η) decreases with increasing
KI concentration. Graphs of the dependence of the intensity and lifetime of the PC fluorescence on
the impurity concentration have a nonlinear dependence (Figure 2). This indicates the complex
nature of the effect of KI impurity on the fluorescent properties of a PFO-based PC. When the
samples are cooled to the boiling point of liquid nitrogen, two bands with maxima at 440 and 580
nm are observed in the delayed fluorescence spectrum (Figure 2, b).
82 ISSN 1811-1165 (Print) ISSN 2413-2179 (Online) Eurasian Physical Technical Journal, 2017, Vol.14, No.2(28)
a) b)
Fig.2. Quenching of the intensity of the stationary fluorescence (1) and the lifetime (2) of the
fluorescence (η) by the impurity KI (a) and the long-term fluorescence spectra (b) of the PFO (1) and PFO KI
films 1% (2).
The spectra of delayed fluorescence of a PC with a maximum at 440 nm completely coincide
with the spectra of stationary fluorescence, shown in Fig. 3, b. As shown in the data of [23], the
delayed fluorescence at 440 nm is the annihilation delayed fluorescence (ADF) of the PFO. A
delayed fluorescence at 580 nm can be attributed to the phosphorescence of polymer [24].
Measurement of the temperature dependence of the delayed fluorescence of PFO showed that with
increasing temperature, the fluorescence intensity at 440 nm and 580 nm decreases. The glow with
a maximum of 580 nm is phosphorescence. It is interesting to compare the intensities of ADF and
phosphorescence in PFO and PFO-KI films. The comparison shows that the phosphorescence
intensity in the PFO-KI film is significantly increased in comparison with the fluorescence in the
PFO film.
Thus, the addition of KI to the polymer leads to a significant increase in the concentration of
excited triplet states in the PC. From the absorption spectra of the films, it follows that the addition
of KI to the polymer leads to an increase in the disorder of the films. Delayed fluorescence spectra
also indicate an increase in the disorder of polymer films, as seen from the shift in the short-wave
side of both the spectra of the ADF and the phosphorescence spectra of the PFO-KI sample. The
kinetics of PC fluorescence in the nanosecond time range was studied (Figure 3).
0
0.25
0.5
0.75
1
0 0.1 0.2 0.3 0.4 0.5t (ns)
I/Imax
1
2
43
5
a) b)
Fig.3. Dependence of the fluorescence kinetics of PFO (a) and logarithmic
fluorescence curves PFO (b) as a function of the impurity concentration KI:
1 - PFO; 2 – PFO - KI 0,1%; 3 – PFO-KI 0,5%; 4 – PFO-KI 1%; 5 – laser beam profile 375 nm.
-5
-4.5
-4
-3.5
-3
-2.5
-2
-1.5
-1
-0.5
0
0 0.1 0.2 0.3 0.4 0.5
t (ns)
Ln(I/I0)
14
Material sciences. Technologies for creating new materials. 83
.
The fluorescence kinetics was measured at a wavelength of 440 nm. Comparison of the form of
the PC fluorescence kinetics (Figure 3, a) with the laser radiation profile (BDL-375-SMC, Becker
and Hickle) shows that the curves coincide at the stage of growth of the fluorescence intensity and
at a time interval of 0.2 ns from the maximum of the fluorescence intensity.
This indicates that at this time interval the shape of the PFO fluorescence curves is formed by
the profile of the laser pulse. In this case, the addition of an impurity KI results in a shift of the
recorded fluorescence decay curve toward short times (Figure 3, a). This may indicate the
acceleration of the photographic processes occurring in the polymer film when KI is added in the
time range below the time range allowed by the experimental equipment. For a longer time range,
there is a monoexponential attenuation of the PFO fluorescence (Figure 3, b). The fluorescence
lifetime (η) was determined using SPCImage 3.9.4 software [24] and is shown in Table 1. The value
of η is in the range 0.4 – 0.5 ns and agrees well with the data obtained in other studies [18, 25-26].
An increase in the KI concentration in the film leads to a slight decrease in η (Table 1). From the
kinetic data obtained, it can be seen that the addition of the KI salt leads to an acceleration of the
photoprocesses both at the stage of increasing the fluorescence intensity (Figure 3, a) and for longer
signal acquisition times (Figure 3, b).
The fluorescence kinetics of PFO-KI films was studied in the micro- and millisecond time
range. The form of the fluorescence kinetics is shown in Figure 4. The general form of the kinetic
curve has an exponential form of damping. On the long-term part of the kinetic curves, having a
shape close to exponential, the lifetime of the fluorescence (η) was determined. Addition of the KI
impurity to the polymer film results in a slight drop in the lifetime of both the ADF and the
phosphorescence of the PFO (Table 2).
Table 2. The delayed luminescence parameters of PFO and PFO-KI films 1%
Polymer PFO PFO–KI
ηDF, ms 1.3 1.25
ηPHOS, ms 2.6 2.4
As can be seen from the spectral data, the impurity KI leads to an increase in the disorder of the
PFO films (Fig. 1 and 2). The degree of influence of the disorder of the films on the character of
migration of triplet excitations can be estimated using the percolation model developed in [27, 28].
In the percolation model, an important parameter is the parameter h, which characterizes the degree
of local inhomogeneity of the medium. The lower limit h=0 expresses the motion in a homogeneous
medium. The upper limit h=1 characterizes the motion in locally inhomogeneous clusters. To
determine the parameter, a plot is plotted for the dependence of ln(IDFI2
PHOS) on ln(t), where IDF is
the delayed fluorescence intensity of the sample, and IPHOS is the phosphorescence intensity. The tilt
angle determines the parameter h.
An analysis of the data obtained within the percolation model showed that for a time interval of
up to 200 μs, a linear dependence with the index h = 0.2 is observed for the PFO film. It shows on
the walk of a triplet exciton in a practically homogeneous medium. For the PFO-KI film, the
behavior of the ln(IDFI2
PHOS) curve versus ln(t) can be described using two linear dependences with
h=0.2 and h = 1 (Fig. 4). It shows that composite film has two structurally different phases. At the
initial instants of time after photoexcitation the dominant contribution in the intensity of the ADF is
provided by rapidly migrating excitons in the ordered phase. The kinetics of the ADF is determined
by the annihilation of triplets in the disordered phase at times greater than 30 μs.
Thus, from the data on the nature of the migration of electronic excited states in the
microsecond time range, it can be seen that the addition of an impurity of KI to the polymer leads to
an increase in the disorder of the film. This disorder has a large effect on the detection times above
84 ISSN 1811-1165 (Print) ISSN 2413-2179 (Online) Eurasian Physical Technical Journal, 2017, Vol.14, No.2(28)
50 μs after laser photoexcitation. The kinetic data are in good agreement with the spectral data on
delayed fluorescence and phosphorescence (Fig. 4, b).
Thus, analysis of ADF kinetic shows that the addition of an impurity of KI to the polymer
leads to an increase in the disorder of the film. The initial kinetics of the ADF is determined by pair
annihilation of triplet excitons in the ordered phase. The annihilation in the disordered phase
becomes dominant over time more than 30 μs. For increase the generation time of the electron-hole
pairs in the nanosecond time range, the PFO-KI sample was cooled 1% to a temperature of 100 K.
An analysis of the kinetics of fluorescence generation and quenching showed that at a low
temperature, the fluorescence generation intensity maximum shifted toward longer times from the
end of the action of the laser pulse (50 ps). This can be explained on the basis of Onsager's formula.
With decreasing temperature, the Onsager radius will increase (rOns are the characteristic distances
between the electron hole and the hole). The growth of rOns leads to an increase in the time after
which recombination fluorescence occurs.
-4
-3
-2
-1
0
0 0.3 0.6 0.9 1.2 1.5
t (ms)
Ln(I/I0)
1
2
43
a) b)
Fig.4. The delayed fluorescence kinetics (a) and description of the kinetics of fluorescence decay (b)
within the percolation model: a) kinetics of fluorescence (1, 3) and phosphorescence (2, 4) of PFO (1, 2) and
PFO + 1% KI (3, 4); b) 1 - PFO; 3 - PFO + 1% KI.
The analysis of the fluorescence damping curves of PFO and PFO-KI films of 1% at
temperatures of 300 K and 100 K showed that they can be described within the framework of the
empirical equation of E. Becquerel describing recombination fluorescence [29]. The comparison
showed that in the interval from 1.5 ns to the attenuation of fluorescence (3-3.5 ns), the
fluorescence kinetics is well described by a dependence of the form (2):
tkII
effect
0
1/
1
, (2)
where .
effectk
is the effective rate constant for the fluorescence decay of the film.
The .
effectk
constant, determined for the PFO-KI film, does not change its value with a
temperature change and is 17 * 10-9
(s-1
). While the value.
effectk
for the PFO film was 54 * 10-9
(s-1
).
Thus, the decay rate of the recombination fluorescence in the PFO film is higher compared to the
PFO-KI film. This can be attributed both to an increase in the concentration of defects in the PFO-
KI film and to a change in the main type of defects in the PFO polymer upon the addition of a
heavy atom. It is not ruled out that the increase in the concentration of triplet excited states in the
PFO-KI film has a significant influence on the recombination fluorescence. The time-resolved
fluorescence spectra of PFO and PFO-KI films were measured at 1% in the nanosecond time range.
Material sciences. Technologies for creating new materials. 85
.
Fig.5. Time-resolved fluorescence spectra of PFO.
At the growth stage of the kinetics of the fluorescence of the films (Figure 5), the spectrum
recorded for the ordered polymer phase with a maximum at 440 nm is observed. With increasing
registration time, the shape of the fluorescence spectrum changes and a fluorescence from the
amorphous phase of the film is observed on the decaying part of the kinetic curve. The main stages
of spectrum transformation are shown in Figure 5. Comparison of the time-resolved fluorescence
spectra of PFO and PFO-KI films 1% did not show any fundamental differences.
Conclusions
Spectral-luminescent properties of semiconductor films of PFO are investigated. The degree of
ordering of the PC films is determined from the absorption spectra. Addition of the KI salt results in
a decrease in the degree of ordering of the PFO films.
The magnitude of the vibronic splitting (ΔE) and the Huang-Riesz factor (S) were calculated
for fluorescence spectra. The increase in the disorder of the PC does not lead to an increase in the
value of S and does not lead to a change in the magnitude of the vibronic splitting ΔE.
The fluorescence kinetics of PFO-KI films was studied in the micro- and millisecond time
range. Addition of KI to the polymer leads to an increase in the disorder of the film, as can be seen
from the data on the nature of the migration of electronic excited states in the microsecond time
range. This disorder has a large effect on the detection times above 50 μs after laser photoexcitation.
The decay rate of the recombination fluorescence in the PFO film is higher compared to the
PFO-KI film. This can be attributed both to an increase in the concentration of defects in the PFO-
KI film, and to a change in the main type of defects in the PFO polymer upon the addition of a
heavy atom.
Acknowledgements This work was carried out with the financial support of the Ministry of Education and Science of the
Republic of Kazakhstan. .
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Article accepted for publication 06.12.2017
Energetics. Thermophysics. Hydrodynamics. 87
UDC 502.064.43; 51-74
SLAG FORMATION MODELLING IN AN ENTRAINED-FLOW GASIFIER
Zageris G., Jakovics A., Geza V.
University of Latvia, Laboratory for mathematical modelling of environmental and technological processes, Zellu street 25, LV-1002, Riga, Latvia
Gasification processes are of great interest due to their generation of renewable energy in the form
of syngas from biodegradable waste. It is therefore important to study the factors that play a role in the
efficiency of gasification and the longevity of the machines in which gasification takes place. This study
focuses on the latter, aiming to optimize an entrained-flow gasifier by reducing slag formation on its
walls to reduce maintenance costs. A CFD mathematical model for an entrained-flow gasifier is
developed – the model of an actual gasifier is rendered in 3D and appropriately meshed. Then, the
turbulent gas flow in the gasifier is modeled with the realizable k-ε approach, taking devolatilization,
combustion and coal gasification in account. Various such simulations are conducted, obtaining results
for different air inlet positions and by tracking particles of varying sizes undergoing devolatilization
and gasification. The model identifies potential problematic zones where most particles collide with the
gasifier walls, indicating risk regions where ash deposits could most likely form. In conclusion, the
effects on the formation of an ash layer of air inlet positioning and particle size allowed in the main
gasifier tank are discussed, and viable solutions for decreasing the amount of undesirable deposits are
proposed. Additionally, an estimate on the impact of various factors such as temperature, gas
properties and gas content, and different forces acting on the particles undergoing gasification is given.
Keywords: Entrained-flow gasifier, gasification, slag formation, turbulence k-ε modelling
Introduction
Although biomass gasification is a well-known process, producers of gasifier equipment still
face certain problems. Ash melting and deposition phenomena are important problems which cause
the formation of a slag layer on equipment walls and may lead to a reliability problem due to
negative effects on wall heat transfer and chemical corrosion [1]. Furthermore, slagging is an
important phenomenon, but insufficiently investigated both experimentally and numerically. A
number of papers describe underlying processes, but linking between local variables of slag (e.g.
slag thickness, slag growth speed, slag movement under gravity forces etc.) and global variables of
the gas flow is still missing. Most modeling attempts are limited to one or two-dimensional models
[2], thus missing spatial behavior of slagging process. This paper aims to explain 3-D effects of
particle size and flow characteristics on the formation of slag on the walls of an entrained-flow
gasifier.
1. Description of the model
1.1 Geometry
The mathematical model is built on an existing, approximately eight meters high industrial
entrained flow gasifier, with dimensions, inlet pipe positions and inlet parameters taken from the
technical specification of the gasifier. The gasification process is modeled in 3D. There are two
types of geometries being analyzed – the whole gasifier in its entire height, and only the region
where the inlet pipes enter the gasifier. This is done to analyze the inlet zone more in detail, as
slagging occurs most intensely in that region.
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Additionally, to determine how inlet pipe positioning affects slagging tendencies, a few
variations of the real inlet zone geometry are constructed, with inlet pipes at various angles, as well
as a tilted variant. The different 3D models can be seen in Fig. 1.
Fig.1. Gasifier geometries with different inlet pipe positioning
1.2. Gas mixture and flow
The gas inside the gasifier is modeled as incompressible. The flow regime of the gas mixture
inside the gasifier is turbulent, and the realizable k-ε turbulence model is used to account for such
behavior in the model.
At the bottom of both models, a gas mixture (CO – 45%, N2 – 26%, CO2 – 16%, H2O – 6%,
CH4 – 6%, H2 – 1%) at 873 °C temperature is introduced at a constant mass flow rate consistent
with operating conditions. The composition of this mixture was obtained from a separate
calculation. There is a stage the biomass undergoes before entering the gasification chamber – first,
it experiences a stage of devolatilization. This process was calculated separately, and the resultant
gas mixture was then applied to the main model. This gas flow drives the co-current flow of the
gasifier. Additionally, from every side inlet, a mixture of air and steam is introduced at 1073 °C,
also at a constant mass flow rate. The mixing of these two flow sources and the resultant velocity
field determines the behavior of particles as they travel through the gasifier.
As thermal effects are important for the process of gasification, the energy equation is also
enabled. Thus, heat transfer due to diffusion, species transfer, chemical reactions etc. is taken in
account. The heat flux through the gasifier walls is assumed to be zero.
1.3. Particles and gasification
Particles are introduced into the gasifier via the bottom at a constant mass flow rate. To
investigate the role of particle sizing in slagging tendencies, four particle sizes were chosen – 5 µm,
100 µm, 500 µm and 1 mm in diameter. The particles are made up of 80% coal and non-
combustibles. The process of devolatilization takes place before the particles enter the gasifier, so
volatile fraction is low. For all simulations, the mass flow rate of each type of particle is the same.
The particle trajectories are modeled using the Lagrangian approach. The forces governing
particle trajectory are as follows: inertial forces, gravity, thermophoretic force and a turbulence
random walk force (with the characteristic time scale taken 0.30 k/ε). The dominant forces in
trajectory determination are the forces of inertia and gravity. The thermophoretic force adds small
corrections, and the turbulence random walk model is enabled to account for small fluctuations of
the turbulent gas flow that disappear when doing numerical calculations over averaged time steps.
While the particles make their way through the gasifier, they also undergo chemical reactions
that produce syngas. Additionally, there are reactions that take place in the volume of the gas as
well. All reaction rates are modeled with the Arrhenius equation. The reactions taken in account are
summarized in Table 1.
Energetics. Thermophysics. Hydrodynamics. 89
Table 1. Summary of chemical reactions implemented in the model
Reaction type Reaction equation A E, J/kmol Reference
volumetric CO + 0.5O2 → CO2 2.239×1012
1.67×108 [3]
volumetric CO + H2O → CO2 + H2 9.87×108 3.1×10
7 [4]
volumetric CO + 3H2 → CH4 + H2O 5.12×10-14
2.73×104 [3]
volumetric H2 + CO2 → CO + H2O 1.785×1012
3.26×108
Equilibrium
with reaction #2
volumetric CH4 + 1.5 O2 → CO +
2H2O
5.012×1011
2×108 [5]
volumetric CH4 + H2O → CO + 3H2 5.922×108 2.09×10
8 [6]
surface C<s> + 0.5O2 → CO 300 1.3×108 [7]
surface C<s> + CO2 → 2CO 2224 2.2×108 [7]
surface C<s> + H2O → CO + H2 42.5 1.42×108 [7]
surface C<s> + 2H2 → CH4 1.62 1.5×108 [7]
The particles are decoupled from the flow – first, the flow fields are calculated, then the
particles trace through the acquired flow.
2. Results and discussion
2.1. Particle behavior with no gasification reactions
To first see the isolated effect of the flow inside the gasifier tank on particle collisions with the
walls of the gasifier, calculations that omit chemical reactions were made. These calculations were
made on all geometry variants to see how inlet positioning can determine critical zones where slag
deposition is most intense. The obtained flow velocity fields can be seen in Fig. 2.
Fig. 2. Flow velocity fields for all geometry variations – from above (top) and from the side (bottom).
The left side scale is for the first three cases, the right side scale is for the latter two cases
90 ISSN 1811-1165 (Print) ISSN 2413-2179 (Online) Eurasian Physical Technical Journal, 2017, Vol.14, No.2(28)
When the inlets are positioned tangentially with respect to the walls, the flow tends to swirl in
the radial direction, but is mostly straight in the axial direction. In this regime, particles experience
a centrifugal force as they travel upwards through the gasifier, which plays a role in particle
collisions with the walls. When inlets are radial, secondary vortices appear in the axial cross-
section. Here, the particles are pulled inside these vortices and guided towards the walls – in result
we have intensive sedimentation effect.
Next, particle behavior in all models was analyzed. A simple wall collision model was used –
every particle that hit a wall was terminated, and the position and size of the particle was reported.
The obtained data is summarized in Table 2 and Fig. 3.
Table 2. Results for particle collision in the model with no chemical reactions
Model (refer to Fig. 1) a b c d e
Total collisions 1450000 1591463 1776187 1953891 758868
Total collisions, normalized 1.91 2.10 2.34 2.57 1
5 µm, % 5.3 9.5 10.7 2.4 2.8
100 µm, % 26.6 35.1 35.5 13.9 11.0
500 µm, % 47.5 39.6 36.9 47.6 38.3
1 mm, % 20.7 15.8 16.9 36.1 47.9
From the simulations, it is evident that the problematic slagging zones become more
pronounced as the inlets are made more radial. In particular, a spike in collisions occurring
immediately below the inlets arises once the inlets become radial (Fig. 3 d and e). It is also notable
that for tangential inlets (Fig. 3 a and b) the collision zones are broad, owing to the centripetal
forces that push transiting particles toward the walls. As the inlets are turned more radially, the
broad impact zones tend to become sharper and center around inlet zones due to secondary vortices
that form immediately below the inlets and push particles toward the problematic zone.
Furthermore, larger particles (500 µm and 1 mm) generally tend to collide with the walls at low
heights more than the smaller particles. This is especially evident in the tangential inlet
configuration (Fig 3. a, b, c). As the heavy particles travel through the gasifier slower than smaller
ones, they are exposed to the centrifugal forces for a longer time, allowing for collisions.
Conversely, the 100 µm particles collide least relative to the rest (see Table 2) – this is because the
small particles can pass the inlet zone before colliding with the walls at all.
An interesting dynamic occurs when the radial inlets are tilted (Fig. 3. e) – the total amount of
particles experiencing collisions is the lowest of all possible configurations, however, the collision
zone is very pronounced. In other words, there is a potential risk of forming a slag ring. To fully
argument whether slagging occurs at the walls, though, gasification reactions must be taken in
account and a more sophisticated trapping condition must be formulated for the particles.
2.2 Particle behavior with gasification reactions
Next, the full gasification model is enabled, allowing the gas and particles to chemically react
with the gases present as described previously. Also, a more adequate trapping condition is
formulated, based on the fusion temperature of the particles and conversion rate. The condition
depends on the state of both the particle and the wall [8, 9, 10]. The particle can be in either a
sticky state (above fusion temperature, particle conversion above critical value) or a non-sticky
state. Also, the fate of the particle depends on the Weber number (We), which shows the ratio
Energetics. Thermophysics. Hydrodynamics. 91
between inertial forces in the fluid and surface tension. There are different scenarios depending on
whether the Weber number is above or below a critical value (taken to be 1). Similarly, the wall is
deemed sticky if it is above the fusion temperature of the particle or if the impeding particle is
sticky. The subsequent scenarios are summarized in Table 3.
Fig. 3. Histogram of amount of particles hitting the walls depending on the height of impact (numeration
consistent with Fig. 1)
Table 3. Particle slagging conditions [8]
Sticky particle Non-sticky particle
We < 1 We > 1 We < 1 We > 1
Sticky wall Slagging Slagging Slagging Reflect
Non-sticky wall Slagging Reflect Reflect Reflect
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With these conditions in place, a simulation was run. The flow fields were practically
unchanged relative to those depicted in Fig. 2. So, it is allowing conclude that gasification processes
do not dramatically change the flow characteristics. However, particle collisions are vastly
different. The amount of collisions decreases rapidly in this model, and the tangential models report
approximately 100 times more collisions than radial models. The temperature fields in Fig. 4, a, d
and e explain (confirm) this effect.
For the tangential cases, temperature spikes are located near the walls. In accord with the
particle sticking condition, this makes particles prone to slagging. Also, as previously explained,
large particles are mostly forced towards the walls in the tangential configurations due to centripetal
forces, further increasing the risk of excessive slag with large particle aggregation.
Conversely, in the radial cases, the temperature spikes are located in the middle, away from the
walls. This gives an inverse effect – the gas temperature near the walls is relatively low,
predominantly cooling the wall and particles, tending them towards non-sticky scenarios.
Fig.4. Temperature fields for various models with enabled gasification reactions
It is important to take in account gasification reactions, as they determine the heat distribution
inside the gasifier. As just shown, particle and wall temperature plays a large role in determining
whether slag will form, overriding the tendencies appearing just from the analysis of the gas flow
with no reactions. Thus, the probability of excessive slag deposition is also dependent on the
particular geometry of the gasifier, though it appears that in axially symmetrical cases tangential
inlets lead to temperature spikes near walls, significantly increasing the danger of slagging. In
order to avoid slagging, a radial configuration for inlets is recommended.
Conclusion
A model for gasification in an entrained-flow gasifier was created and run in two modes –
without the gasification chemical processes taking place, and then with the processes taken in
account. The first model was used to analyze the impact of the flow inside the gasifier on the
particles passing through it. It was determined that tangentially positioned inlets create a swirling
flow that gives rise to centripetal forces that push particles towards the walls. Smaller particles
experience this less as they travel through the gasifier quickly, but larger particles tend to collide
with the walls because of this. In radial inlet configurations, a secondary vortex arises that pushes
particles into a zone directly below the inlets.
In the second simulation run, gasification reactions are enabled and a more sophisticated
particle capturing condition is formulated. With these in place, a dramatic change is reported –
particles collided with walls far more in tangential configurations than radial ones.
This is explained by the temperature fields in the gasifiers – in tangential cases, the largest
temperatures are near the walls, while for radial cases the heat spikes are located in the middle.
Energetics. Thermophysics. Hydrodynamics. 93
Therefore, a tentative recommendation to reduce excessive slagging can be made – slagging is
decreased for gasifiers with axial symmetry if the inlets are positioned radially as opposed to a
tangential positioning.
ACKNOWLEDGEMENTS
This research was done with the financial support of European Regional Development Fund, Project “Development, optimization and sustainability evaluation of smart solutions for nearly zero energy
buildings in real climate conditions” (1.1.1.1/16/A/192).
REFERENCES
1 Lu X. and Wang T. “Simulation of Ash Deposition Behavior in an Entrained Flow Coal Gasifier”,
International Journal of Clean Coal and Energy, 4, 43-59 (2015), doi: 10.4236/ijcce.2015.42005
2 Arafat A. Bhuiyan, Jamal Naser. Modeling of Slagging in Industrial Furnace: A Comprehensive
Review. Procedia Engineering. 2015, Vol.105, pp.512–519. Available at: http://dx.doi.org/10.1016/j.proeng.
2015.05.084.
3 Westbrook C.L. Dryer F.L. Simplified reaction mechanisms for the oxidation of hydrocarbon fuels in
flames. Combust. Sci. Technol. 1981, Vol. 27, pp. 31 – 43.
4 Bustanmante F., Enick R.M., Killmeyer R.P., Howard, B.H., Rothenberger K.S., Cugini A.V.,
Morreale B.D., Ciocco M.V. Uncatalyzed and well-catalyzed forward water-gas shift reaction kinetics.
AIChE J., 2005, Issue 51, pp. 1440 – 1454.
5 Gomez M.A., Porteiro J., Patino D., Miguez J.L. CFD modelling of thermal conversion and packed
bed compaction in biomass combustion. Fuel, 2004, Vol. 117, pp. 716 – 732. Available at: http://dx.doi.org
/10. 1016/j.fuel.2013.08.078
6 Hou K., Hughes R. The kinetics of methane steam reforming over a Ni/α-Al2O catalyst. Chemical
Engineering Journal, 2011, Vol. 2, pp. 311 – 328.
7 Wu Y., Smith P.J., Zhang J., Thornock J.N., Yue G. Effects of Turbulent Mixing and Controlling
Mechanisms in an Entrained Flow Coal Gasifier. Energy Fuels, 2010, No. 24 (2), pp. 1170 – 1175.
8 Yong S.Z., Ghoniem A. Modeling the slag layer in solid fuel gasification and combustion – Two-
way coupling with CFD. Fuel, 2012, No. 97, pp. 457 – 466.
9 Ni J., Yu G., Guo Q., Zhou Z., Wang F. Submodel for Predicting Slag Deposition Formation in
Slagging Gasification Systems. Energy Fuels, 2011, Vol. 25, pp. 1004 – 1009.
10 Li S., Wu Y., Whitty K.J. Ash Deposition Behavior during Char-Slag Transition under Simulated
Gasification Conditions. Energy Fuels. 2010, Vol. 24, pp. 1868 – 1876.
Article accepted for publication 25.10.2017
94 ISSN 1811-1165 (Print) ISSN 2413-2179 (Online) Eurasian Physical Technical Journal, 2017, Vol.14, No.2(28)
UDC 531.226; 621.38
INVESTIGATION OF THE EFFECT OF THE CATALYST ON THE
COMPOSITION AND STRUCTURE OF PETROL FRACTION IN OIL
UNDER ELECTRIC HYDROPULSE PROCESSING
Satybaldin A.Zh., Aitpaeva Z.K., Ospanova D.A.
Karaganda State University named after E.A. Buketov, Karaganda, Kazakhstan, [email protected]
As a result of the complicated practical implementation of electric hydropulse processing of liquid
media, the mechanism of its effect on the properties of the water-organic dispersed system has not yet
been fully studied. In some cases, the electric hydropulse processing of a liquid mixture of water and
hydrocarbon makes it possible to facilitate the separation of light and middle fractions. The results of the
investigation of the impact of electric hydropulse effects on the properties of the obtained fractions are
presented in the article. As a result of the study, conditions facilitating the maximum reduction in the
kinematic viscosity of the Karazhanbas field oil have been established. The duration of the electric
hydropulse processing time during which the yield of light and middle fractions of high-viscosity oil
increases is established. The optimal parameters of high-viscosity oil processing are determined. Those
are the discharge voltage magnitude of a switching device and the capacitance of a capacitor bank.
Keywords: electro-hydro-pulse processing, dispersed product, structure, correlation coefficient, energy spectrum, dynamic equations.
Introduction
The rapid scientific-and-technological advance and high rates of development of various
branches of science and world economy in the XIX-XX centuries led to a sharp increase in the
consumption of various minerals, a special place among which was occupied by oil.
Growing competition in the oil and gas sector makes it necessary to improve the efficiency of
company work. One of the promising directions in achieving this result is the technical and
technological improvement of the oil treatment processes, such as oil gathering, water and gas
utilization, oil desalting at the oilfield [1, 2]. The parameters and results of the technological
procedure specification of oil refining and petroleum chemistry are determined by the quality of raw
hydrocarbons in processing, which in turn directly depends on the effectiveness of the methods of
its treatment and refining used. The current stage in the development of chemistry and technology
of hydrocarbons is characterized by a progressive deterioration in the properties and quality of the
processed oils due to increased water content, corrosive aggressiveness, sulfur and salt content, etc.
Chemical reagents for various purposes are used in the technological processes of preparing raw
materials for oil refining and petroleum chemistry; but in abnormal operating conditions traditional
chemical methods and standard technologies are not sufficiently effective in many cases. In the
process of oil extraction, transportation and storage, a number of problems arise, the solution of
which requires deep understanding of mechanisms of the structure formation [2].
These include the formation of asphaltene sediments in tanks and pipes, high values of
viscosity-temperature properties of paraffinic and high-viscosity index oil [2, 3]. One of the
foreground tasks of the development of science and technology is the enhancement of chemical and
technical processes and increase in efficiency of technical equipment. The basis of improving the
quality of products, increasing productivity and reducing energy costs for running chemical
technology processes is the development of highly efficient technology equipment with optimal
energy density and specific consumption of materials, high level of effects on the processed
substance matter.
Energetics. Thermophysics. Hydrodynamics. 95
1. Statement of the problem
Along with chemical methods for processing and improving the physical and chemical
characteristics of heavy oils, a number of physical methods are used to impact on oil and water-
organic mixtures, including their processing using electric hydropulse (EHP) treatment, which in
some cases improves their properties and facilitates separation of light and medium fractions. EHP
discharge in a high-molecular hydrocarbon medium causes the destruction of a continuous chain; in
this case it breaks the bonds between the different parts of a molecule, and also causes a change in
the structural viscosity, that is, a temporary breaking of Van der Waals bonds. Under electro-
hydraulic shock waves, which cause a process of cavitation of quite a great intensive rate, during a
long period of time, C-C bonds are broken in paraffin molecules. As a result, changes in the
physical and chemical composition (reduction in molecular weight, crystallization temperature, etc.)
and the properties of the petroleum products (viscosity, density, flash temperature, etc.). In the
process of impulsive cavitation treatment of oil and petroleum products, the energy released at
cavitation bubble collapse is used to break chemical bonds between the atoms of large molecules of
hydrocarbon compounds.
The C-H dissociation energy changes dependening on the molecular weight and the molecule
structure within the range of 322 ... 435 kJ/mole, and the C-C dissociation energy is in the range of
250 ... 348 kJ/mole. When the C-H bond is broken, monoatomic hydrogen rebounds from the
hydrocarbon molecule, and when the C-C bond is broken, the hydrocarbon molecule breaks into
two uneven parts. At electric hydro-pulse oil treatment, the destruction of the molecules takes place,
which was caused by micro-cracking of the molecules and the processes of ionization. As the result
of these processes, the "activated" particles, such as ions, radicals, ionic-radicals, etc. are
accumulated in the system.
In this regard, the study of EHP processing as a method of preparing hydrocarbon raw
materials for further processing seems relevant. The results of analyses presented in the articles [5,
6] and the development of this technology show that the EHP discharge in oil increases the rate of
hydrogenation and hydrogenolysis reaction. This makes for improvement of facilities for electric
hydro-pulse processing and the feasibility study and prospects of its further development [4].
2. The results of experimental studies
In the laboratory of hydrodynamics and heat transfer of the Department of Engineering
Thermophysics named after Prof. Zh.S. Akylbaev and in the laboratory of chemical technology and
ecology of the chemical faculty, a number of experimental works on distillation and study of the
impact of the EHP discharge effect and the amount of catalyst on the individual hydrocarbon
composition of a gasoline fraction of HV oil from the Karazhanbas field [5-7] were carried out.
2.1 Change in the rheological properties of oil
Karazhanbas oil is the most viscous one among the known oils of Western Kazakhstan; the
elemental composition of oil is the following (mass%): C – 84.09; H – 12.5; N – 2.14; О – 0,88; S
– 0.39. The oil is highly resinous, sour, and it is characterized by a low yield of light fractions.
Presented in this paper, the results of study on the effect of the discrete EHP treatment on the
rheological properties of a number of paraffin oils make for a more detailed assessment of the
dynamics of structural and mechanical changes in oil dispersed systems after external action. Figure
1 shows the effect of EHP treatment on the kinematic viscosity of oil before and after processing.
Numerous experiments show that at an interelectrode distance of 4 to 8 mm EHP discharges act on
the physicochemical structure of oil causing change in the rheological properties of the suspension.
Before the EHP processing, the kinematic viscosity of the oil at a temperature of 30°C was 550
mm2/s (Fig. 1), after EHP processing its viscosity at the same temperature decreased to 400 mm
2/s.
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Fig.1. Effect of temperature on the kinematic viscosity of oil before and after processing by electric
hydropulse treatment
Thus, the obtained results of the study show that decrease in the kinematic viscosity value of
high-viscosity oil (HVO) of the Karazhanbas field takes place when the distance between the
discharger and the electrode in the processing cell is from 4 to 8 mm. The duration of the processing
time by EHP treatment increases the yield of light and medium HVO fractions for an exposure time
in the range of 4 to 8 minutes. Then discharge voltage of the switching device is 10 kV, the capacity
of the capacitor bank is 0.1 μF.
Later, the effect of catalyst additions on the individual hydrocarbon composition of the
gasoline fraction of HVO before and after electric hydropulse processing was determined. Figures 2
(a, b) show the effect of the dependence of the addition of the pyrite catalyst from 1% to 5% on the
individual hydrogenates of the diene and cyclodiene before and after the electric hydropulse
processing.
a) b) Fig.2. Diene and cyclodiene composition of oil at different catalyst contents:
a) before and b) after the electric hydropulse processing
It is apparent that before the processing and without the addition of a pyrite catalyst to HVO,
the individual hydrogenates included dienes of 0.7% and cyclodiene of 0.4% (Fig. 2a). After
addition of the pyrite catalyst (Fig. 2b) and electric hydropulse processing of individual
hydrogenators, the dienes increased from 0.7% to 3.8% and cyclodiens from 0.4% to 2%.
Figure 3 shows the dependence of the percental additive of a high-viscosity oil catalyst from
1% to 5% to the group composition of paraffin, cycloparaffin, olefin and to aromatic hydrocarbons
before and after electric hydropulse processing.
Energetics. Thermophysics. Hydrodynamics. 97
a) b)
Fig.3. Paraffinic, cycloparaffinic, olefinic, aromatic and hydrocarbon oil compositions with different catalyst
contents: a) before and b) after the electric hydropulse processing
As can be seen in Figure 3a, before processing of the high-viscosity oil by the EHP treatment,
the group composition of the hydrogenation showed paraffin of 3%, cycloparaffin of 0.75%, olefin
of 0.9% and aromatic hydrocarbon of 0.8%. After the EHP processing of high viscosity oil and
addition of a pyrite catalyst up to 5% the individual composition of the hydrogenate changed:
paraffin of 80%, cycloparaffin of 20%, olefin of 17%, aromatic hydrocarbons by 20%.
2.2 Change in the structure
Then we studied photographs taken with the help of an electronic scanning microscope BS-340
of the Tesla company. The photographs show changes in the microstructure of the light fraction of
high-viscosity oil before and after EHP processing. Figure 4 shows the structure of crude oil from
the Karazhanbas field.
Fig.4. The microstructure of Karazhanbas oil before the electric hydropulse processing, magnified
by 200 times
It can be seen in the photograph that before the EHP processing and without the addition of the
pyrite catalyst, microstructures remain undeformed and possess sharp angles. The experiments
aided to determine the effect of the amount of catalyst on the individual hydrocarbon composition
of the gasoline fraction of HV oil after EHP processing. Figure 5 shows photographs of the
Karazhanbas oil microstructure with different contents of the pyrite catalyst. As can be seen in
Figures 5 (a, b, c), after oil processing using EHP treatment with catalytic additives from 1 to 5%,
the degree of fineness of the solid phase sharply decreases, and complete dispersion of the catalytic
additives is observed.
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a) b)
с)
Fig.5. Photos of structure of the Karazhanbas oil with various content of the
catalyst after electric hydropulse processing: a) 1%; b) 3%; c) 5%.
A phase analysis of solid residues showed that during processing using EHP in a mixture
consisting of oil and a catalytic additive of pyrite, the latter generates to pyrrhotine.
Conclusion
The results of the analysis of solid residues obtained by an electron microscope confirm the
published data [7] that during the regeneration process of pyrite to pyrrhotine hydrogen sulfide is
formed, which in turn begins to disintegrate on the surface of the formed pyrrhotine into two active
hydrogenating radicals: hydrogen H and hydrogen sulphide HS.
Thus, the obtained results allowed us to determine the optimal experimental conditions, the
effect of the amount of catalyst additive on the group and individual hydrocarbon composition of
light and middle fractions obtained from HVO after preliminary processing by EHP treatment. The
conducted tests allowed us to establish that the EHP treatment has a number of advantages over the
other wave methods. First of all, this is a more economical method, allowing to carry out the
process in continuous-flow mode and being the most acceptable under production conditions. In
addition, it provides a higher yield of light fractions, a high degree of processing of raw
hydrocarbons for their further transportation.
ACKNOWLEDGEMENTS
The work was carried out within the framework of the project (grant of MES RK) No. 1172 "Electrohydropulse technology of oil sludge and oil-containing technogenic raw materials processing ".
REFERENCES
1 Nadirov N.K. Oil and Gas of Kazakhstan. Almaty: The White, 1995, 163 p. [in Russian]
2 Unger F.G., Andreeva L.N. Fundamental aspects of petroleum chemistry. Nature of resins and
asphaltenes. Novosibirsk: Science, 1995, 88 p. [in Russian]
3 Fuchs G.I. Viscosity and plasticity of petroleum products. Moscow-Leningrad, 1951, 107p. [in
Russian]
Energetics. Thermophysics. Hydrodynamics. 99
4 Arsenyev V.V. To the theory of the development of a pulsed electric discharge channel in a liquid
medium. In the book .: Breakdown of dielectrics and semiconductors. Leningrad, Energy 1964, pp. 199 -
206. [in Russian]
5 Satybaldin A.Zh., Baykenov MI, Tanasheva NK, Esimbek M., Sadenova K.K., Bulkairova G.A.
Investigation of the influence of electrohydropulse shock waves on the rheological properties of oil sludge
formed on the surface of the Atasu-Alashankou oil pipeline. Proceeding of the LVIII Intern. scientific and
practical conference "Technical sciences - from theory to practice". Novosibirsk, 2016, No. 25 (53), pp. 82 -
89. [in Russian]
6 Kazhigali D.A., Sagimbekova M.N., Ramazan A.O. Influence of the electrohydropulse effect on the
physicochemical structure of oil sludge and oil-bearing technogenic raw materials. Proceedings of the
regional scientific and practical conference "Buketov Readings-2016". Karaganda, 2016, pp. 147 - 150. [in
Russian]
7 Gagarin S.G. Fundamental research on innovations in the chemical technology of coal in China.
Coke and Chemistry. 2007, No. 3, pp. 13 – 15.
Article accepted for publication 25.10.2017
100 ISSN 1811-1165 (Print) ISSN 2413-2179 (Online) Eurasian Physical Technical Journal, 2017, Vol.14, No.2(28)
UDC 532.517.4
EXPERIMENTAL STUDY OF COMPLEX CURRENTS
(THREE-DIMENSIONAL JET AND BODY WAKE)
Toleuov G., Issatayev M.S., Seidulla Zh.K.
Scientific Research Institute of Experimental and Theoretical Physics (IETP), Almaty,
The studies of the heat transfer of a finite size streamlined surface were conducted. The
experimental results of the investigation of the large-scale formations development in complex
currents (body wake) are shown. The general patterns (analogy) of such flows with a three-
dimensional free jet are finding. The distribution of velocity fields in vortices and vortex clusters in
turbulent free three-dimensional jets had been identified as one of the varieties of complex jet
streams. A comparison of varieties of complex jet streams is given.
Keywords: autocorrelation function, vortex, large-scale vortices, body wake, three-dimensional free jet, vortex cluster, complex jet stream
Introduction
At present, more in-depth studies of the parameters of the vortex structures of different types of
flows are necessary because of changes in the approach to the nature of formation of turbulent flows
[1-5]. Also, some phenomena were observed in the process of mixing and transfer of heat in three-
dimensional jets and wakes formed during installation of finite length cylinders streamwise, with no
reasons given without studies of the vortex structure of these flows.
After the spectral and correlation analysis, generalized data on the scales and intensities of the
characteristic frequencies of the vortex structure were obtained. It was noted that degradation of the
vortex structures, propagating along the nozzle's larger and smaller sides, has different intensity
values in both cases. There was also a difference in flow rates observed. More detailed information
on the dynamics of the development of vortex structures can be obtained by using the phase
averaging technique in converting flow velocity and temperature signals.
In this paper an attempt to understand the physics of the mentioned above effects is made by
deeper investigation of vortex structures which are formed at the initial and transitional parts of the
three-dimensional jet and wakes behind the cylinders of finite length.
1. Experimental technique
Experiments on the study of free turbulent jets were carried out on the apparatus shown in
Fig.1. To measure the average speed and dynamic pressure, a Pitot 8 tube and MMN-240 micro-
manometer 12 are used, as well as the equipment, earlier developed by RIETP employees at al-
Farabi KazNU. It includes a two-channel thermo-anemometric system with a linearized output
speed signal, a temperature transducer, an inductive pressure transducer and a phase-selector unit.
The measurement of the pulsation characteristics of velocity is made using the above-
mentioned thermo-anemometric system using the phase selector. In the process of experiments,
automatic recording of autocorrelation functions of velocity pulsation is performed using X6-4-type
digital correlator, which is used in experiments.
Adjustment of synchronous illumination phase is carried out using a phase sampler. The sensor
position and illumination phase are adjusted so that the sensitive part of the sensor is on the motion
line of the vortex centers. Then registration system and automatic recording of probability
Energetics. Thermophysics. Hydrodynamics. 101
distribution functions and correlation function is launched. Simultaneously, a memory oscilloscope
is launched to record the oscillogram of the signal under study.
Visualization of the flow for the purpose of observing the evolution of vortex clusters is carried
out with the help of IAB-451 shadow device, in whose testing section the investigated region of the
flow was located. During the experiment using x-y recorder equipped with auxiliary devices, the
dynamic and thermal characteristics are recorded in the form of spatial distributions.
Displacement of the Pitot tube and the sensors along the three axis of nozzle symmetry is
carried out with the help of a three-dimensional coordinate spacer. Since for a free jet the static
pressure is almost absent, the experiment in its essence reduces to measuring the velocity head. To
measure this pressure and velocity, two types of measuring nozzles are used. To determine mean
velocity values in a fixed point, starting from one gauge (x/b), total pressure Pitot tube with an inlet
diameter of 0.8 mm is used. When determining the pressure profiles on the nozzle cross section,
with regard to the boundary layer formed on the lateral inner nozzle surfaces, a microtube with a
flat top made of a thin-walled tube is used by flattening the measuring end.
Fig. 1. The scheme of experimental equipment:
1-fan; 2-vibration damping junction; 3-stilling chamber; 4-field mesh; 5- heated grid; 6-nozzle; 7-
speaker (N = 50 W); 8-Pitot tube; 9-sensor; 10-photorecorder; 11-illuminator; 12- MMH-240 brand
micromanometer; 13-inductive pressure transducer; 14-CTM-02-type block thermo-anemometric system;
15-strobe; 16-BEV-03phase selection block; 17-GZ-34 sound generator; 18- CB-13 universal memory
oscilloscope; 19-device for studying correlation characteristics of X6-4; 20-PDP4-002 two-coordinate
potentiometer; 21- LATR type auto-type transformer; 22-end plates; 23- Tepler IAB-451 shadow device;
24-differential amplifier.
Such a nozzle design ensures high accuracy of local pressure measuring in the boundary layer
with the smallest flow perturbations. The dimensions of the fore part of the microscope are 0.3 mm
x 1.5 mm. Wall thickness 0.05 mm. A simple and fairly reliable method of measuring velocities
and pressures with acoustic action is the counter Pitot tubes method. Practically the measuring
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nozzle consists of two Pitot tubes fixed on a common assembly so that their spouts are directed
towards each other and slightly apart.
The recording of pressure and velocity is made using a MMN-240 type micromanometer or an
inductive pressure transducer, the flow diagram of which has been developed. The diagram contains
the following components: a measuring bridge, a G3-34 sound generator, an amplifier, an SV-13
oscillograph, two-coordinate recorder PDP4-002, a power supply unit. In the process of
experiments, the data will be adjusted by plotting a calibration curve to calculate the temperature
values (displacement of the recorder along y coordinate will be calibrated based on the mercury
thermometer readings).
In the experiments on the investigation of a finite size body wake, the working bodies, which
represent short cylinders with flat ends with different elongations, will be used. To measure
pressure distribution along the bodies’ surface, there are drainage holes drilled at equal distances
along the generating cylindrical part. By successively opening each hole, a complete picture of
pressure distribution across the cylinder surface can be obtained in longitudinal and transverse
streamlining.
The velocity field in the wake behind the cylinder is measured with a T-shaped nozzle. A
visual investigation of the flow past a short cylinder was carried out on the basis of the IAB-451
type device. The correlation properties of the vortex breakdown were measured using a digital BK-
OZU type correlator.
The diagram of experimental apparatus for measuring the distribution of temperature
comprises the following: copper-to-constantan thermocouple, digital voltmeter universal B7-21, x-
y- recorder PDP4-002. The circuit of the experimental apparatus for measuring the distribution of
temperature is the following constituent parts: copper-constant thermocouple, digital voltmeter
universal B7-21, two-coordinate recorder PDP4-002.
To measure temperature distribution of the jet, copper-constant thermocouple is used, the "hot"
junction of which is placed in the flow, and the other, the so-called "cold" junction, is at room
temperature. EMF thermocouples are measured with a digital voltmeter B7-21. The signal from the
thermocouple is also fed to PDP4-002 x-y recorder, where continuous records of temperature
changes along the axis of the string and in the cross sections are produced.
To measure the average heat exchange factor, copper cylinders with the same parameters as
in the flow aerodynamics study will be used. Heat transfer factors of the cylinders are determined
by the method of steady state of the first kind. Body temperature was measured by a copper-
constantan thermocouple, one of which is caulked into a cylinder, and the other one is blown over
by an airflow. The thermocouple voltage is measured by a digital B7-21 milivoltmeter.
When conducting experimental tests on free jets, nozzles with a quadrangular cross section of
the outlet with side proportions were used: λ = 1.65; 2.77; 5.07; 7.61; 11.0; 16.0; 25.2 and a round
nozzle (diameter = 22.5 mm). The values of the outlet cross section of all the nozzles were
approximately equal. In the study of flow past cylindrical bodies, working bodies were used, which
were short cylinders with flat and spherical ends with l/d elongation from 0.2 to 20.0.
2. Discussion of results
Using the available equipment, it was possible to trace and photograph the shadow image of
the flow by means of a pulsed flash of light synchronized with the vortex frequencies that are
formed in the initial and transition zones of the jet. The thermoelectric anemometer system was
used to determine arithmetic and pulsation characteristics of the flow velocity. A complete set of the
system was used, including electronic micromanometer and a phase averaging device, which made
it possible to measure the averaged periodic and chaotic components of the rapid pulsation.
A visual examination of the wake behind cylinders of different lengths in the thickening
section in the working part of the device with a shadow pointer and during the experiments on
determining the length was also carried out. For a more in-depth study of the relationship between
Energetics. Thermophysics. Hydrodynamics. 103
mixing processes and the dynamics of the development of vortex structures, the existing
experimental apparatus was modernized so that it was possible to synchronize the frequencies of
formation of the vortex structures and visualize the impulse flash in the investigated flow zone.
The results of measuring axial flow velocities in the jets leaving the nozzles with different
lateral sides in the output cross-section are shown in Fig. 2.
Data analysis indicates a zone of gradually decreasing flow velocity. This zone was detected in
front of the main zone, where the flow velocity drops to about ~x-1
. The lower the value of λ
becomes, the closer this zone is to the point of outflow. This dependence can be more accurately
tracked when the results are put out in the following form: Umi = f (λ) (Figure 3). Here, Umi is the
selected flow rate level.
Fig. 2. The nature of the change in the axial flow rate at various values:
λ = a/b, Uo = 20 m/s, where Uo is the axial flow velocity.
Fig. 3. The length of the section with equal flow velocity levels is shown
as a function of the parameter λ = a/b, with Uo = 20m/s.
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Since the above-described zone has already been determined, it can be called the zone of
deformation termination of a three-dimensional jet, i.e. this zone is in front of the main zone, in
which there is no deformation of the jet, this zone extends further along the free and axially
symmetric scheme. Determining the autocorrelation functions of the longitudinal axial pulsations of
flow velocity in the investigated region, where deformation process is completed, proved the
existence of a negative maximum. The results of determining the Ri value in the jet at λ = 2.27 are
shown in Fig.4. The time corresponding to the value of the negative R maximum can be called the
half-period of the typical frequency nchar=1/ηchar of this periodically repeating process. In the above-
described case, this time equals 5.6×10-3
, and this value corresponds to a frequency of 89 Hz.
Fig. 4. Values of autocorrelation functions of speed oscillations flow along the jet axis at different
values of disturbance frequencies at Uo = 6.03 m/s; λ = 2.77; x/b = 10:
1 - in the undisturbed state; 2 - beginning of disturbance at a frequency of 50 Hz; 3 - 63; 4 - 70; 5 - 80;
6 - 89; 7 to 100; 8 - 120. The index e is an effective.
Obviously, disturbances frequency of 89 Hz corresponding to the ηchar period, because the
growth and decrease in frequency with respect to a given value with equal degrees of perturbation
leads to a decrease in Rt (Ume/Um) value (see Figure 4). This explains the presence of variability of
the flow velocity under the influence of perturbation and makes it possible to estimate perturbation
result. It should be taken into account that the change in the degree of the disturbance frequency and
the corresponding de / Uo ×ηchar value in the range of 0.25 – 0.36 results in a change of the result of
the action by only 10%. Here we have de = 2 (ab/π)0.5
, (a is the long side of the nozzle, b is the short
side of the nozzle, and de is the effective diameter). Therefore, it is recommended to take this
measurement interval as the area with the most pronounced disturbance.
Figure 5 shows the shadow photographs of the flow made from the small and large sides of the
nozzle in various stages of development, when the signal of the disturbance frequency turned out to
be in the visible spectrum. The shape of the vortex perturbation formed near the tip of the nozzle is
clearly seen in the images. It is also easy to see the initial phase of the vortex perturbation from the
larger side of the nozzle. This process continues until a vortex is formed in a 3D format, both sides
of which are at different cross sections of the jet.
The average instantaneous profiles of periodic and random components of flow velocity
fluctuations U" value, which could be detected using the phase averaging technique, prove the
existence of different levels of these quantities corresponding to the larger and smaller sides of the
nozzle. This difference for the U' value is shown in Figure 6. These data were obtained at two
different stages of vortex development. The upper lines correspond to the moment when the
measuring device passed through the center of the vortices, and the lower lines correspond to the
measurements between eddies.
Energetics. Thermophysics. Hydrodynamics. 105
For a comparative analysis with a three-dimensional jet, experimental investigations of the
flow past cylindrical bodies were conducted.
Fig. 5. Shadow images of the flow in a 3-dimensional jet format with perturbation frequency
corresponding to S = 0,27: Uo = 4,3 m/s; n = 60 Hz;
A, B - view from the small side of the nozzle; C, D - view from the larger side of the nozzle.
Fig. 6. Velocity pulsations wave component distribution diagram in disturbance:
Uo = 4.27m/c; n = 60Hz; S = 0.27;
1, 2 - dimensions of the cross-section in the center of the eddy; 3, 4 - between vortices
The values of correlation factors were determined at the time when the cylinder wake was
investigated. These measurements were taken using two devices placed at the two ends of the
cylinder near the section where the flow is detached from the surface. The obtained data are shown
in Fig.7. The positive value of the correlation factor in the range of 0<l/d< 12 proves the
symmetrical separation of eddies as they move away from the cylinder surface. The sign of the
correlation factor varies with the ratio l/d> 12.
The absolute value of the factor increases as the ratio l/d = 07, is reached, at least, when two
limiting walls are established at both ends in the presence of large l/d ratios. A negative R value
indicates the presence of an antisymmetric separation of eddies (T. Karman vortices table).
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A shadow photograph of the flow with insignificantly heated cylinders, obtained using an
impulse flash, confirms the conclusion that is based on determination of correlation factors’ values.
Fig. 7. Factor of velocity fluctuation correlation expressed as the l/d function
It was mentioned above that have been discovered that some phenomena were observed in the
process of mixing and transfer of heat in three-dimensional jets and wakes formed during
installation of finite length cylinders streamwise, with no reasons given without studies of the
vortex structure of these flows.
One of the proofs of existence of such phenomena is the presence of a maximum in the
dependence of the length of the reciprocating flow zone on the aspect ratio parameter λ=l/d. This
dependence, resulting from the transformation, it is shown in Figure 8.
Fig. 8. Length of reciprocating flow zone in the wake of the cylinder, depicted as a λ= l/d parameter
A similar process of increasing the length of the original and transition zones with a certain
proportion between lengths of the lateral sides of the output cross-section is marked on three-
dimensional jets (analogy).
Conclusion
After the spectral and correlation analysis, generalized data on the scales and intensities of the
characteristic frequencies of the vortex structure were obtained. It was noted that degradation of the
vortex structures, propagating along the nozzle's larger and smaller sides, has different intensity
values in both cases. There was also a difference in flow rates observed. More detailed information
on the dynamics of the development of vortex structures can be obtained by using the phase
averaging technique in converting flow velocity and temperature signals.
Energetics. Thermophysics. Hydrodynamics. 107
Therefore, the presence of a maximum in the L/d = f (l/d) relation is directly linked to the
transformation of vortex separation and the processes of vortex formation, starting with a symmetric
vortex corresponding to the flow around the sphere and ending with a two-dimensional vortex
corresponding to the flow around the infinite length cylinder.
Acknowledgment The work was carried out within the framework of a project funded by the
Ministry of Education and Science of the Republic of Kazakhstan on the topic 3096/GF4 «Research of heat transfer and heat-and-mass exchange in complex jet flows»
REFERENCES
1 Vlasov E.V., Ginevsky A.S. Coherent Structures in Turbulent Jets and Wakes. Science an
Technology Summary. Mechanics of Liquid and Gas Series. Moscow, 1986, Vol. 20, pp. 3 –84. [in Russian]
2 Issatayev S.I., Toleuov G., Issatayev M.S., Bolysbekova Sh.A. Experimental Study of three-
Dimensional Turbulent Jets Flowing from a Nozzle with a Rectangular Outlet Cross Section. Engineering
and Physics Journal, 2016, Vol. 89, No.2, pp. 383 – 387. [in Russian]
3 Hussain A.K.M.F. Coherent structures and turbulence. J. Fluid Mech, 1986, Nо. 173, pp. 303 – 356.
4 Issatayev S.I., Tarasov S.B., Toleuov G., Issataev M.S, Bolysbekova Sh.A., Baigalikyzy B.
Dynamics of Vortex Perturbations at the Initial and Transitional Sections of Three-Dimensional Jets. Bulletin
of NAS RK. Physics and Mathematics Series. Almaty, 2015, No.3 (301), pp. 125 – 131. [in Russian]
5 Lhendup Namgyal and Joseph W. Hall. Coherent streamwise vortex structures in the near-field of
the three-dimensional wall jet. J. Fluid Eng., 2013, Vol. 135, No. 6, pp. 120 – 126.
Article accepted for publication 20.11.2017
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UDC 621.311.24
VERTICAL–AXIAL TWO–ROTOR WIND POWER UNITS BIDARRIEUS-1
Yershin Sh.1, Yershina A.K. 2, Ydyryssova A.А.2
1 al-Farabi Kazakh National University, Almaty, Kazakhstan
2Kazakh State Women’s Teacher Training University, Almaty, Kazakhstan, [email protected]
The article is devoted to problems of modern wind energy. The technical characteristics and
advantages of the two-rotor wind powers Bidarrieus have been described. The design concept and
principle of operation of original vertically axial two-rotor semi-industrial specimens of Bidarrieus-1
are shown. It is proposed to use the independent principle of operation of rotating shafts connected to a
wind turbine, as a distinctive feature of the design of this power unit. This original design of
Bidarrieus-1 allows obtaining a high coefficient of wind energy use.
Keywords: two-rotor wind powers, Darrieus, Bidarrieus, vertically axial wind turbine, semi-industrial specimen, wind power utilization factor
Introduction
According report of the global wind energy industry development by the World Wind Energy
Association (WWEA), June 8, 2017[1] the worldwide wind capacity reached 486’661 MW by the
end of 2016. Out of which 54’846 MW were added in 2016, this represents a growth rate of 11,8 %
(17,2 % in 2015). All wind turbines installed worldwide by the end of 2016 can generate around 5
% of the world’s electricity demand.
To reduce the level of the greenhouse effect, for about 20 years, a group of Kazakhstan
scientists-enthusiasts of using the wind power have been developing vertical-axial units (Darrieus
type) with two coaxially arranged rotary shafts (two-rotor wind turbines) [2-8]. A detailed review of
the development of wind power in Kazakhstan, with an analysis of the characteristics of various
types of wind generators developed over the past 20 years, was given in [8]. Until now, these
developments are not implemented in a wide-scale production. In addition to objective reasons, this
is due to the fact that they are ineffective and can convert wind energy only in a narrow range of
speeds.
The proposed Darrieus type wind turbine designs are highly efficient. Up to now, three
versions of these units have been developed. As is known, Darrieus construction has a single rotary
shaft and the rectilinear span is related to two oppositely arranged working blades (see figure 1).
Spans and working blades can be shaped in the form of symmetrical wind profiles of NASA.
Rotation of the wind turbine takes place on account of lift action on working blades. The working
blade can be jointed with the rotary shaft with the help of a span or by the way of troposkino
(Figure 1b).
1. Two-rotor wind power unit Bidarrieus – 1.
The first version of two-rotor machines called Bidarrieus-1 is already a sufficiently well-
known wind power unit in Kazakhstan. To a certain extent, such wind power unit can be considered
as two Darrieus units inserted into one another and positioned at 900, so that spans are perpendicular
to each other [2-7].
Energetics. Thermophysics. Hydrodynamics. 109
a) b)
Fig.1. Darrieus wind turbine: a) with straight blades; b) of troposkino system (with curved blades).
At fig. 2 - 4 schematic constructive diagrams of Bidarrieus-1 wind turbine are shown. On the first of
them – option with direct cover blades (1) H-shaped rotor. Each of two coaxially located shafts (4) by
means of spans (2) are connected with symmetrically located pair of blades (1) which rotating create the
moment of force which is independently acts on "own" shaft. In this option both shafts have to rotate in
one direction with the same angular speed.
Fig.2. The schematic diagram of Bidarrieus-1 with direct wings (one-way rotation):
1 - blades, 2 - spans, 3 - case, 4 - shafts of rotation, 5 - bearing, = 90 0.
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Fig.3. Schematic diagram of Bidarrieus-1 of troposkino system (one-way rotation).
Fig.4. The schematic diagram of design of Bidarrieus-1 wind turbine with blades troposkino (rotation of
shafts in different directions).
There is a special correcting device (clamp) maintaining an angle = 900 between the spans during
operation of Bidarrieus-1. In the figure 3 the operating scheme of WPP Bidarrieus-1 is the same, as in the
first case, but blades are executed in a form of "troposkino". There are the same designations, as in fig. 2.
( = 900). Stability of operation of the wind turbine is achieved by symmetric arrangement of blades. At
last, in the figure 4 - the design allowing rotation of shafts in different directions. There are the same
designations, as in fig. 3.
Energetics. Thermophysics. Hydrodynamics. 111
2. Semi-industrial specimen of Bidarrieus-1
At first, an acting laboratory model (Figure 5) was constructed and tested in an aerodynamic
tunnel. The acting model of wind power unit Bidarrieus-1 was constructed in a joint-stock SRI
“Gidropribor” (Uralsk). The sizes of the model are chosen so that it can be placed into the working
site of the aerodynamic tunnel of this institute. The work area of a wind tunnel has the ellipse form
with big axis located horizontally and equals to 2100 mm, and small axis of the ellipse makes-1200
mm. The working model had following sizes: total height is 785 mm; wingspan with four cover
blades on it is 800 mm.
Fig.5. Two-rotor Bidarrieus-1: a) an acting laboratory model of Bidarrieus-1;
b) Bidarrieus-1 model in the working site of the aerodynamic tunnel made on joint-stock SRI
“Gidropribor” Uralsk (a view from above).
Cover blades and spans have been made in a form of symmetric profile NASA-0021. The
chord of blades and spans is similar and equals to 32 mm, length of working blades - 550 mm,
length of wingspans - 400 mm. Each pair of blades was joined by mutually perpendicular spans.
Thus, four blades were placed at 900 from each other. A picture of the model of Darrieus wind
turbine is presented in Fig. 5a and b. To compare the values of wind power utilization factor ξ, the
model could work both under the conditions of Darrieus and Bidarrieus-1.
Being convinced of the efficiency of a two-rotor machine on the acting laboratory model, we
constructed a semi-industrial specimen of Bidarrieus-1 wind power unit (Figure 6).
Fig.6. A semi-industrial specimen Bidarrieus-1 working in the mode with opposite rotation.
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The construction of a semi-industrial specimen of this unit allows the coaxially arranged shafts
to rotate in opposite directions. In this case, one two-contour electro-generator can be used. WPP
Bidarrieus-1 provides an output of electric power at the speed of 5-15 m/s. The device operates in a
wide interval of wind speed. The total height of WPP is 10.6 m, the weight is 800 kg. WPP is
installed on an easy base and in addition is fixed by means of wire ropes. Dimensions of rotors:
span of external rotor – 2 m, length of blade – 4.5 m, span of internal rotor – 1.7 m, blade length – 4
m. Blades profile - NASA-0021, blades chord – 0.3 m.
The proposed unit Bidarrieus-1 is placed into a casing and consists of two coaxially arranged
rotary shafts with which the working blades are jointed with the help of spans. A distinguishing
peculiarity in the construction of the unit is the use of the independent principle of operation of
rotary shafts jointed with the wind turbine and transmitting wind power to two electro-generators.
The tests of wind power unit Bidarrieus-1 showed that wind power utilization factor ξ is 40%
higher than that of Darrieus unit at equal capacities of the wind power unit. The value ξ reaches the
limiting value limited by Betz postulate and can even somewhat exceed it. The thing is that
Bidarrieus-1 consists of two usual Darrieus with the total sum of about 0.6. The invention protected
by patents of the Republic of Kazakhstan [3-5].
Conclusion
It is known that all wind power plants operate on the same principle: wind energy is converted
into rotational motion of the turbine and then into electricity. The main indicator of the
effectiveness of the wind turbine is wind power utilization factor ξ. From this point of view, the
most promising in Kazakhstan are wind turbines with a vertical axis of rotation, in particular rotary
or carousel type [9]. A distinguishing peculiarity in the construction of the proposed unit
Bidarrieus-1 is the use of the independence principle of operation of two coaxially arranged shafts
jointed with the turbine and transferring the wind power to two current generators. Thus, the power
of two direct current electro-generators is summed up. For centering coaxially arranged rotary
shafts are separated from each other with the help of bearings, this providing the possibility of their
independent rotation: in both concerted one and the same and opposite ways. These design features
of Bidarrieus-1 ensure its high efficiency and, accordingly, the prospects for using it in practice.
REFERENCES
1 World Wind Energy Association, June 8, 2017. Available at: http://www.wwindea.org/11961-2/ 2 The Kazakhstan Electricity Association Committee on Renewable Energy Sources. Febr. 24, 2016.
Available at: http://www.windenergy.kz
3 Yershin Sh.А. et al. Vertical axial compound wind turbine of carousel type. Preliminary patent No.20748 RK, F032D 9/00 (2006/01). Published on 16.02.2009, Bull. No. 2, 59 p.
4 Yershina А.К., Yershin Sh.А. et al. Bi-Darrieus wind turbine. Preliminary patent No. 19114 RK, F03D 3/06 (2006/01). Published on 15.02.2008, Bull. No. 2, 48p.
5 Yershina А.К., Yershin Sh.А., Manatbayev R.K. Wind motor. Patent RK No. 31662, F03D 3/06 (2006/01). Published on 15.11.2016, Bull. No.15, 6p.
6 Yershina А.К., Yershin Sh.А., Tulepbergenov A.К., Manatbayev R.K. Bi – Darrie wind turbine. Proceeding of the Intern. Conf. on Thermal and Environmental. ASME – ATI – UIT 2010. Issues in Energy Systems. Sorrento, Italу, 2010, рр. 615 – 619.
7 Yershina A.K., Yershin Sh.A., Manatbayev R.K., Kuykabaeva A.A., Tursynbayeva A.E., Kalassov N.B. А Bi-Darrieus-1 wind turbine. Proceeding of the 15
th Intern. Scient. Conf. «RE& IT – 2016», Smolyan
– Bulgaria, 2016, pp.1 – 8. 8 Yershina А.К., Nursadykova Zh.K., Borybaeva M.A. Analysis of development wind power
apparatus in Kazakhstan. Eurasian Physical Technical Journal, 2016, Vol.13, No. 2(26), рр. 99 – 106. 9 Wind power in Kazakhstan: ideas and perspectives, Febr. 21, 2013. Available at: https://www.zakon.
kz/4542663-vetrojenergetika-v-kazakhstane-idei-i.html
Article accepted for publication 22.11.2016
Energetics. Thermophysics. Hydrodynamics. 113
UDC 532.525.6
PHYSICAL MODELING THE UNSTEADY FLOW WITH WAKES
Suprun Tetiana
Institute of Engineering Thermophysics National Academy of Sciences of Ukraine (IET NASU), 2a Zhelyabova str., 03057, Kiev, Ukraine, [email protected]
The flow through blade channels in turbomachinery is unsteady due to wake from the blade rings
placed upstream. The hesitating cylinder and squirrel cage are the most spread generators for
modeling the unsteady flow with wakes. This paper is aimed at the comparison of characteristics of
hydrodynamic structure of external flow for two different wake generators. The special attention is
focused on development of the methods for dividing of the total longitudinal pulsation into turbulent
and nonstationary components and averaging of hydrodynamic external flow characteristics with
periodic nonstationarity by replacement of such a flow with shearless equivalent.
Keywords: Wakes, hesitating cylinder, squirrel cage generator, external flow structure, turbulent and nonstationary components.
INTRODUCTION
The flow entering the blade passages in turbomachines is highly unsteady as it contains airfoils
wakes, secondary flow generated by upstream stator with a few vortices e.g. horse shoe vortex,
blade tip leakage and finally it contains turbulence. This combination of periodic and random
disturbances has very strong impact on earlier boundary layer transition and significant
enhancement to the overall level of heat transfer. However, due to lack of understanding of these
unsteady effects, most turbine designs are at present time still based on steady flow analysis. In
order to allow further optimization at the performance of turbomachines it is therefore very
important to understand and to be able to predict the unsteady flow effects. The importance of wake
passing to the aerodynamics and heat transfer of downstream turbomachinery blades has motivated
a great deal of research projects in recent years.
Because of the above mentioned complexity of the flow in turbomachines the modeling of
wake in wind tunnel and the investigation of its influence on the boundary layer on a flat plate is
needed. It is necessary to note that there are different types of wake generators. For example,
authors [1-3] used squirrel cage as wake generator. In [4] measurements of wake-affected heat
transfer distributions on a flat plate are made by use of a wake generator that consists of a rotating
disk and several types of circular cylinders attached on the disk rim. Hesitating cylinders were used
for modeling flow with periodic unsteadiness in many works, in particular in the Institute of Fluid-
Flow Machinery of the Polish Academy of Sciences [5] and Institute of Engineering Thermophysics
(IET), Kiev [6]. Thus, as the literature review showed, the most popular wake generators are the
hesitating cylinderand squirrel cage. That is why these types of generator are used in present
experimental investigations for modeling the unsteady flow with wake.
1. Experimental technique
Experiments were carried out in the working part of the T-5 IET NASU open circuit
aerodynamic tunnel with 90х120х800 mm3 dimensions when velocity of an external flow was 9
m/s. A flat plate (2) was mounted in working section (1) asymmetrically at h =90 mm from top wall
(Fig.1). In order to eliminate separation at the leading edge of the plate the interceptor (5) at a
height of 60 mm was installed on the top wall at the end of working section.
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For generating periodic unsteady wakes single hesitating at f =4.4 Hz cylinder d =3 mm was
located upstream of the plate at x = - 15 mm. The amplitude of cylinder motion was 20 mm from
the axis of the leading edge of the plate. The detailed information about this wake generator is
presented in [6].
The squirrel cage (3) with D=70 mm in the axis of cylinders (4) was installed at the entrance
into working part and consisted of 6 cylinders (d=3 mm, N=6) (Fig.1).The axis of rotation of the
generator was located upstream of the plate at x= - 50 mm and y=35 mm from the axis of the
leading edge of the plate. Speed of generator rotation was n = 50 rev / min, which corresponded to
the frequency of rotation of the cylinder f = 5Hz.
Fig.1. Sketch of the experimental installation
Steady wakes were produced by the same still squirrel cage which is situated in positions 1,
2 and 3 (Fig.2 a, b, c). Positions 2 and 3 correspond to squirrel cage turns ± 90 ° and 15 °
clockwise relative to position 1.
а) b) c)
Fig.2. Schemes for installing still squirrel cage.
The parameters of the internal structure of the external flow were measured by DISA-55M
hot-wire system. It is necessary to remark that in periodically disturbed flow total turbulence
intensity was measured including periodic and turbulent fluctuating components.
Energetics. Thermophysics. Hydrodynamics. 115
2. Results and discussion
2.1. Improvement of measuring technique
Measurements of the periodically disturbed flow structure required improvements in the
technique for processing experimental data. For this purpose, the following methods were
developed: dividing of the total longitudinal pulsation into turbulent and nonstationary components
and averaging of hydrodynamic external flow characteristics with periodic nonstationarity.
For dividing total fluctuations ( eu ) into turbulent ( tu ) and nonstationary ( nu ) components the
additional measurements after still wake generator were conducted. The method of dividing was
based on two following assumptions: 1. rotation does not substantially influence on turbulent
component; 2. energies of disturbances of different nature are not correlated i.e. 2 2 2
e t nu u u .
It is known that wakes change the uniformity of the velocity distribution because of the
presence of defect and generate a nonuniform turbulence field in the free-stream ( y > ).To
describe such external flow, it is necessary to average the indicated hydrodynamic characteristics.
When implementing this procedure, the most important is the selection of the averaging region.
As shown in [6], in cases of still and hesitating cylinder the interaction between shearing
motion in the wake and boundary layer leads to formation the region with the uniform field of the
velocity eU =const. In this case the value eU is taking as a velocity of free-stream at forming of
boundary layer. In work [5] similar results that wakes do not change the uniformity of the velocity
distribution, but generate a non-uniform turbulence field with maximal level up to 5%were
obtained.
The distributions of mean in time velocities behind a squirrel cage demonstrate the presence of
the narrow shearless core broadening down flow as well as the zone of shear flow on the periphery
of squirrel cage. The common tendency is weakening of velocity defect with x growth. For
estimating the characteristics of shear external flow behind rotating squirrel cage its replacement by
shearless equivalent was made. For this purpose in the every cross section the distributions of
velocity and fluctuations were averaged in the range of y = D + d what corresponded the width of
wakes spreading.
2.2. Distributionsof longitudinal fluctuations in external flow
Distributions of longitudinal fluctuations in the free-stream ( y > ) after still (Fig.3a) and
hesitating cylinder (Fig.3b) showed that total intensity of longitudinal fluctuations in case of
hesitating cylinder is higher than for still one.
Distributions of longitudinal fluctuations in the free-stream after still squirrel cage (Fig.4) at
x=50 mm depend on its position. In position 1 (as shown in Fig.2a), when the near wakes behind
the cylinders 6 and 5 coincide with far wakes behind the cylinders 2 and 3 (Fig. 4, designation 1),
maximum of longitudinal fluctuations eUu /'max = 11% at x= 50 mm is observed. When the still
squirrel cage is installed in positions 2 and 3 (Fig. 2b and 2c), the amplitude of the maxima in the
wakes behind the cylinders is higher than in the previous case ( eUu /'max =13% and 12-16% at x
=50 mm respectively, Fig. 4, designations 2 and 3). The amplitude of the maxima of longitudinal
fluctuations decreases along the plate and reaches 4.5% and ~ 4% in the section x= 600 mm for
positions 1, 2 and 3 respectively.
Thus, the distributions of longitudinal fluctuations in the last sections of the plate are
practically independent of the positions of still squirrel cage. A characteristic feature of the
distribution of longitudinal fluctuations of the external flow behind still squirrel cage is a significant
difference in the amplitudes of the maximum and minimum. At x=50 mm minmax / uu reaches ~17, 12
и 5 for positions 1, 2 and 3 respectively. Along the plate, this ratio decreased to 1.5-1.1.
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a) b)
Fig.3. Distributions of longitudinal fluctuations in the free-stream after still (a) and hesitating cylinder (b)
Fig.4. Distributions of longitudinal fluctuations in the free-stream after still squirrel cage
in positions 1, 2 and 3 (x= 50 mm)
The distributions of total velocity fluctuations behind rotating squirrel cage differ by peaks
(Fig.5), amplitude of which decreases down flow. Mechanism of peaks origin is connected with
the interaction of wakes after rotating cylinders what causes the growth of energy of disturbances
in points of intersections of wakes. The number of peaks corresponds to (N-1), i.e. there are 5
peaks at N=6.Along the plate peaks degenerated, and their amplitude decreased from eUu /'max
=17-18% at x =50 mm to 5% at x =600 mm. In this case the ratio minmax / uu decreased along the
plate from 1.4 at x =50 mm to 1.2 at x =600 mm.
Comparison of the relations minmax / uu in the external flow behind the still and rotating
squirrel cage made it possible to determine that the rotation of the cage leads to a smoother
distribution of longitudinal velocity fluctuations.
Energetics. Thermophysics. Hydrodynamics. 117
Fig.5. Total velocity fluctuations after rotating squirrel cage.
2.3. Characteristics of shearless equivalent flow
After averaging of hydrodynamic external flow characteristics with periodic nonstationarity by
the method of shearless equivalent flow described above it is possible to obtain the distributions of
velocity eU and total velocity fluctuation eu . The values of the calculated fluctuations ee Uu / in
each section along the plate are shown in Fig. 6. The extraction from the total energy of longitudinal
fluctuations of an equivalent flow2
eu the turbulent 2
tu and nonstationary 2
nu energy was carried
out on the basis of the uncorrelatedness of the latter, i.e.:22
ten uuu . Turbulent
fluctuation tu was calculated on the basis of the distribution of longitudinal fluctuations in the
external flow when a still generator was installed.
As seen from Fig.6, the fluctuations of turbulent component )(/ xfUu et changed from 8.9%
to 3.6% and nonstationary components )(/ xfUu en from 12% to 2.3% along the plate (at x =50
mm and x =600 mm respectively). Thus the fluctuations of turbulent component measured after still
squirrel cage changed slower than calculated fluctuations of nonstationary component. Immediately
near the squirrel cage the nonstationarity was dominating, however down flow the turbulent
component became prevailing. The observed fact is important from a practical point of view,
because allows controlling the intensity of the transport processes using separately the parameters
of nonstationarity (frequency, amplitude) or turbulence.
As shown at Fig.6 the decay law of averaged total fluctuations / ( )e eu U f x was similar to
the one after traditional still grids widely used for generation of turbulence in aerodynamic
tubes.The decay law of total energy of longitudinal velocity fluctuations of shearless equivalent
permits to estimate the transport properties of turbulized flow in the working part of aerodynamic
tube. For that it is possible to use the traditional form of decay laws behind stationary generators of
turbulence [7]:
2
02( )me
e
UA x x
u
, (1)
where the exponent values ( m ) usually are chosen in the range of m =1,2-1,4, while virtual
distance (0 )x and coefficient ( A ) are determined in the results of experimental investigations.
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100 300 5000 200 400 600x, мм
2
6
10
14
0
4
8
12
16
u'/
Ue
, %
/
u' / Ue
/
u' / Un e
/
u' / Ut e
x, mm
Fig.6. Distribution of components of velocity fluctuations after rotating squirrel cage.
On the base of decay law (1) it is possible to calculate the kinetic energy of fluctuations, their
dissipation and characteristic scale as well as to estimate turbulent viscosity of turbulized flow te
[7] in the frames of “energy – dissipation” turbulence model. Preliminary calculations show that
values of the latter change from te 2.7*10-3
to te 1.4*10-3
m2/s along the length of working
part, i.e. exceed values of molecular viscosity almost into 200 times at x =50 mm.
These features of the unsteady flow with wakes must be taken into account in developing
numerical methods for calculation of transport processes of the flow in turbomachines on the basis
of turbulence models.
Conclusion
Experimental investigations of an external flow in the presence of wakes after still and
hesitating cylinder and the still and rotating squirrel cage were carried out.
It has been shown that external flow with periodic nonstationarity is characterised by shearing
motion in the wake and nonuniform turbulence field. For estimating the characteristics of such
external flow its replacement by shearless equivalent was made and method for dividing total
fluctuations into turbulent and nonstationary components was proposed. It was shown that
nonstationarity enhances longitudinal velocity pulsations in the external flow, in particular total
intensity of longitudinal fluctuations in case of hesitating cylinder is higher than for still one.
Distributions of longitudinal fluctuations in the free-stream after still and rotating squirrel cage
are characterised by presence of peaks. The rotation of the squirrel cage leads to a smoother
distribution of longitudinal velocity fluctuations. The rate of change for the fluctuations of turbulent
and nonstationary components after rotating squirrel cage is different, namely near the squirrel cage
the nonstationarity was dominating, however down flow the turbulent component became
prevailing. On the basis of the obtained data the kinetic energy of fluctuations, their dissipation and
characteristic scale as well as turbulent viscosity of turbulized flow with periodic nonstationarity
can be calculated.
Energetics. Thermophysics. Hydrodynamics. 119
Nomenclature
U, u’ are velocity, longitudinal velocity fluctuation, m/s,
x, y are coordinates,
Greek symbols
δ is thicknesses of boundary layer.
te is turbulent viscosity of turbulized external flow
Subscripts
e - total,
t - turbulant,
n - nonstationary,
REFERENCES
1 Wright L., Schobeiri M.T. The effect of periodic unsteady flow on aerodynamics and heat transfer on
a curved surface. J. Heat Transfer. 1999, Vol. 121, pp. 22 – 33.
2 Liu X., Rodi W. Experiments on transitional boundary layer with wake-induced unsteadiness.
J.Fluid Mech. 1991, Vol. 231, pp. 229 – 256.
3 Pfeil H., Herbst R., Schrewder T. Investigation of the laminar-turbulent transition of boundary layer
disturbed by wakes. J. Engng for Power. 1983, Vol.105, pp. 130 – 137.
4 Funazaki K. Unsteady boundary layers on a flat plate disturbed by periodic wakes: part I –
Measurements of wake-affected heat transfer and wake-induced transition model. J. of Turbomachinery.
1996, Vol.118, pp. 327 – 336.
5 Epik E.Ya., Suprun T.T., Wiercinski Z. Some features of mechanism of laminar-turbulent transition
induced by wakes. Eurasian Physical Technical Journal. 2006, Vol.3, No. 1(5), pp. 54 – 58.
6 Suprun T. Heat transfer in the presence of transition induced by wakes of hesitating cylinder.
Eurasian Physical Technical Journal. 2016, Vol.13, No. 2(26), pp. 93 – 98.
7 Dyban E.P., Epik E.Ya. Heat-Mass Transfer and Hydrodynamics in Turbilized Flows. Naukova
Dumka, Kiev, 1985, 296 p. [in Russian]
Article accepted for publication 06.12. 2017
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UDC: 533.682; 533.6.01; 621.548
STUDY OF AERODYNAMICS OF A TWO-BLADED WIND TURBINE
WITH POROUS-SURFACED CYLINDRICAL BLADES
Sakipova S.E., Tanasheva N.K., Kussaiynova A.K.
E.A. Buketov Karaganda State University, Karaganda, Kazakhstan, [email protected]
The article discusses the study results of the aerodynamic characteristics of a two-bladed wind
turbine with rotating cylinders under various airflow conditions. A two-bladed wind turbine model with
porous-surfaced cylindrical blades of constant cross section was developed and made. The
characteristics of the experimental model and the measurement technique are briefly described. The
results of aerodynamic tests of the wind turbine model under different airflow conditions are presented.
Dependences of the lifting force, drag force and traction force on airflow rate are obtained. Determinate
variations in the aerodynamic forces of the model of a two-bladed wind turbine with porous-surfaced
cylindrical blades with increasing incident airflow rate correspond to the physical airflow pattern.
Keywords: wind turbine, aerodynamics, rotating cylinder, drag force, traction force, porous surface.
Introduction
Kazakhstan has a significant renewable energy potential, the development of which can
provide significant environmental, economic and social benefits. The national strategy is aimed at
bringing the share of renewable energy sources in electricity production to 50% by 2050. The most
promising and affordable renewable energy source is the wind. However, despite the considerable
resource base of renewable energy sources and ambitious goals on a national scale for their
development, the contribution of renewable energy to total electricity production is within 1% [1,
3]. The application of renewable energy conversion technologies in a resource-rich country such as
Kazakhstan is still a big problem. Among the many factors hindering the expansion of the use of
renewable energy sources, the main ones are insufficient base of effective energy technologies and
developments providing stable systems of alternative energy generation irrespective of weather
conditions. For example, owing to objective factors, the performance coefficient of wind-driven
power plants (WPP) does not exceed 20%. This is due to the fact that WPP can convert wind energy
in a certain speed range; at wind speeds of less than 2-3 m/s they stand idle, and at very high storm
winds they are disconnected. Therefore, the problem of developing low-power WPP to convert
wind energy both at low and high speeds is still relevant.
The article discusses the results of an experimental study of the aerodynamic characteristics of
a two-bladed wind turbine with rotating cylinders under various flow conditions.
1. Statement of the problem
Renewable wind energy has been used by mankind for a long time both for individual use and
on a macroscopic scale in the created wind farms. In recent years, to convert renewable wind energy
into electric power, wind turbines are being developed and manufactured, where besides classical
wing blades, various forms of blades are used: flat, cylindrical, cone-shaped, etc. [4-12]. There is
growing interest in developing and creating efficient wind generators with cylindrical blades in
order to achieve efficient flow with minimal aerodynamic drag. Cylindrical blades of constant and
variable cross section with flat and spherical ends, with smooth, rough and porous surfaces with flat
and spherical ends, with smooth, rough and porous surfaces have been manufactured.
In [9-11], the results of experimental investigations to study the aerodynamic characteristics of
a single rotating cylinder with a porous surface in transverse air flow in the speed range from 5 to
Energetics. Thermophysics. Hydrodynamics. 121
13 m/s are presented. The dependence of the coefficients of aerodynamic characteristics on the
surface porosity degree of the rotating cylinder is established.
A comparative analysis showed that an increase in the surface porosity degree of the cylinder
leads to a significant change in the aerodynamic characteristics compared to their values for a
smooth surface. Moreover, the greater the degree of porosity, the greater the value of the coefficient
of aerodynamic drag and that of a lifting force. This is due to the fact that when the air flow moves
around the rotating cylinder with a porous surface; the boundary layer expands more intensively
than in case of a smooth surface.
In [12], the measurement results of the traction force of a wind turbine with rotating
cylindrical blades with smooth and porous surfaces are discussed at different angles of rake of the
incoming air. It has been established that the traction force decreases with an increase in the angle
of rake of the flow. In this paper, the results of study of the aerodynamic characteristics of a two-
bladed wind turbine with a porous surface of rotating cylindrical blades under various airflow rates
are discussed.
1. The experimental plant and measurement technique.
To carry out the tests, a model of a two-bladed wind turbine with a horizontal axis of rotation
of the wind wheel was made. Rotating cylinders of constant cross section with flat ends were used
as blades, Fig. 1. The diameter of the wind wheel D=0.4 m, the length of each cylindrical blade
Lc=0.20 m, the diameter of the cross section of the cylinder dc=0.1 m.
Fig.1. A model of a two-bladed wind turbine with cylindrical blades:
1– a collector device; 2 – rotating cylindrical blades; 3 – an electric motor; 4 – a horizontal
shaft; 5 – a sheave wheel; 6 – a storage battery; 7 – a voltage regulator; 8 – an electric
generator; 9 – an electric power consumer (ammeter).
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Fig.2. A model of a two-bladed wind turbine in the working section of a wind tunnel.
In the experiments, the porous surface was modeled using a metal grid with cells of a preset
size that was stretched to the surface of a cylindrical blade. The detailed description of the
procedure for modeling and calculating porosity degree Ppor through the grid cell dimensions dg.c. is
available in [10]. In the case under consideration, the degree of porosity is:
= 0.002 m-1
.
The rotational speed of the two-bladed wind turbine shaft was (40-60) rpm, the rotational
speed of cylindrical elements was (500-900) rpm, and the minimum threshold of working wind
speed was 3 m /s. To measure the angular rate of rotating cylindrical blades, the experimenters used
a contact/noncontact digital phototach AT-8, which allows measuring in the range from 0.1 rpm to
10,000 rpm.
During the tests, the dependence of aerodynamic forces on the speed of the incoming air flow
in the range from 4 m/s to 15 m/s was studied. The measurement procedure using aerodynamic
weights is given in [4-5]. The traction force Ftract was determined using dynamometers. The error in
measuring the aerodynamic forces and their moments was (3-4) %.
3. Results of the experiments and their discussion
It has been experimentally established that the values of the lifting force and the drag force
increase proportionally with the increase in the airflow rate. Fig. 3a, b shows the change in the
aerodynamic coefficients of a two-bladed wind turbine model with the porous surface of the
rotating cylinders with increasing airflow rate. Values of aerodynamic coefficients are calculated by
standard formulas [3, 11]. Experiments show that when the rate of the air flow increases, the value
of the drag coefficient Cx decreases practically in accordance with the logarithmic law, Fig. 3a.
Fig. 4 shows the change in traction force Ftract. with increasing airflow rate. As can be seen
from the graph, the values of the traction force also increase almost in direct proportion to the
increase in the airflow rate. A similar dependence is observed in the change in the number of
revolutions of the wind wheel with increasing airflow rate, Fig. 5.
Energetics. Thermophysics. Hydrodynamics. 123
Fig.3. Dependence of the drag coefficient Cx and the lift force coefficient Cy of two-bladed wind
turbine model with porous surface of the rotating cylinders on the Reynolds number.
Fig.4. Dependence of the traction force of two-bladed wind turbine model with porous surface of the
rotating cylinders on the rate of air flow.
Fig.5. Dependence of the rotational speed of the wind wheel of two-bladed wind turbine model with porous
surface of the rotating cylinders on the airflow rate.
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Conclusion
Thus, the authors experimentally studied regularities of the change in the aerodynamic forces
of the model of a two-bladed wind turbine with porous-surfaced cylinders of constant cross section
with a change in the rate of the incoming air flow in the range from 5 to 13 m/s. The obtained
dependences qualitatively confirmed the physical picture of the flow past a single rotating cylinder
with a porous surface.
At this intermediate stage, the dependence of the aerodynamic coefficients on the porosity
degree of the surface of the cylindrical blades has not been studied. Also, no special measurements
have been made regarding the Magnus effect on the aerodynamics of a two-bladed wind turbine
when the airflow rate changes. These regularities are planned to be investigated in further studies.
Nevertheless, in the conducted experiments the technique of modeling the porosity degree of
surfaces and measuring the rotational speed of the wind wheel with a change in the rate of the
incoming air flow has been worked out. The obtained findings will be used for a comparative
analysis with similar data for a wind turbine with smooth and rough surfaces of cylindrical blades to
identify the most optimal flow parameters.
REFERENCES
1 Karatayev M., Clarke M. A review of current energy systems and green energy potential in
Kazakhstan. Renewable and Sustainable Energy Reviews, 2016, Vol. 55, pp. 491–504.
2 The Kazakhstan Electricity Association Committee on Renewable Energy Sources. Febr. 24,
2016. Available at: http://www.windenergy.kz
3 Bezrukikh P.P. Wind power use. Moscow, 2008, 196 p. 4 Bolotov S.A. A rotary vortex wind power plant. Power supply and energy saving in agriculture.
Moscow, 2003, Part 4, pp. 177 - 185.
5 Bychkov N.M. A wind turbine and the method of its operation. A.C. RU No. 2118699. Published:
18.06.1996. Bull. No. 45, 3, p.
6 Yershin Sh.А. et al. Vertical axial compound wind turbine of carousel type. Preliminary
patent No.20748 RK, F032D 9/00 (2006/01). Published on 16.02.2009, Bull. No. 2, 59 p.
7 Yershina А.К., Yershin Sh.А. et al. Bi-Darrieus wind turbine. Preliminary patent No. 19114
RK, F03D 3/06 (2006/01). Published on 15.02.2008, Bull. No. 2, 48p. 8 Kussaiynov K., Sakipova S.E., Tanasheva N.K. et al. A wind turbine based on the Magnus effect. RK
innovative patent of invention No. 30462. Published: 15.10.2015, 3 p.
9 Kussaiynov K.K., Turgunov M.M., Tanasheva N.K., Dusembaeva А.N., Kalikova A. The effect of
porosity on the aerodynamic characteristics of a rotating cylinder. Eurasian Physical Technical Journal.
Karaganda. 2013, Vol.10, No. 2(20), pp.25-30.
10 Kussaiynov K., Tanasheva N.K., Turgunov M.M., Shaimerdenova G.M., Alibekova A.R.
The Effect of Porosity on the Aerodynamic Characteristics of a Rotating Cylinder. Modern Applied
Science. 2015, Vol.9, No. 2, pp. 215 – 222.
11 Sakipova S.E., Tanasheva N.R., Kivrin V.I., Kussaiynova A.К. Study of wind turbine model
aerodynamic characteristics with a rotating cylinder. Eurasian Physical Technical Journal.
Karaganda, 2016, Vol.13, No.2 (26), pp. 112 – 117.
12 Tanasheva N.R., Shrager E.R., Sakipova S.E., Dusembaeva А., Nurgalieva Zh.G.,
Karsybekov R. Research of aerodynamic characteristics of the wind generator based on the
Magnus’s effect. Bulletin of Karaganda University. Physics Series. 2017, No. 3(87), pp. 60 – 64.
Article accepted for publication 06.12. 2017
SUMMARIES 125
SUMMARIES TYCІНІКТЕМЕЛЕР АННОТАЦИИ
Сомсиков В.М.
Классикалық Механика заңдарынан Термодинамиканың заңдарына. Классикалық механика заңдарының негізінде термодинамика заңдарын негіздеу ұсынылды.
Термодинамиканың негіздемесі құрылымдық бӛлшектердің механикасына сүйенеді. Бұл
механиканың классикалық механикадан айырмашылығы келесіде: классикалық механикада дене
моделі материялық нүкте ретінде қолданылады, ал құрылымдық бӛлшектердің механикасында
құрылымдық бӛлшектер түріндегі модель қолданылады. Құрылымдық бӛлшектер ретінде
потенциалды ӛзара әрекеттесетін материялық нүктелердің жеткілікті үлкен санынан құрылатын жүйе
алынады. Энергияның термодинамикалық принципінің энергияның дуализмімен байланысы
кӛрсетілді, оның негізінде құрылымдық бӛлшектер механикасы құрылған. Д-энтропияға түсінік
берілген. Энтропияның Больцман формуласының құрылымдық бӛлшектер механикасында алынатын
кеңейтілген Лиувилль теңдеуіне сәйкесті қалай ӛзгертілгендігі кӛрсетілген.
Сомсиков В.М. От законов Классической Механики к законам Термодинамики. Предложено обоснование законов термодинамики на основе законов классической механики.
Обоснование термодинамики опирается на механику структурированных частиц (СЧ). Отличие этой
механики от классической механики состоит в том, что в классической механике используется
модель тела в виде материальной точки (МТ), а в механике СЧ используется модель в виде СЧ. В
качестве такой СЧ берется система, состоящая из достаточно большого количества потенциально
взаимодействующих МТ. Показано, как термодинамический принцип энергии связан с дуализмом
энергии, на основе которого построена механика СЧ. Поясняется, что такое Д- энтропия. Показано,
как модифицируется формула Больцмана энтропии в соответствии с расширенным уравнением
Лиувилля, полученном в механике СЧ.
Хейфец М.Л., Витязь П.А., Колмаков А.Г., Клименко С.А., Сенють В.Т.
Наноқұрылымдық материалдар мен жабындылардың синтезіндегі тепе-теңсіз процестердің
физикалық-химиялық талдауы. Мақалада макро-, мезо-, микро- және наноқұрылымдық деңгейлерде наноқұрылымдық материалдар
мен жабындылардың құрылымдары және фазаларының қалыптасудың тепе-теңсіз процестерін
зерттеуге арналған физика-химиялық диаграммаларды талдаудың негізгі принциптері
қарастырылған. Әр түрлі деңгейдегі материалдар мен жабындыларды синтездеудің тепе-теңсіз
процестері үшін физика-химиялық талдаудың негізгі принциптерін толықтыру қажеттілігі
кӛрсетілген. Үздіксіздік принципін құрылымдар мен фазалардың құрылу кезіндегі энергияның
диссипациясын қарастыруымен толықтыру қажет. Сәйкестік және үйлесімділік принциптерін
геометриялық бейнелердің фракталдық кӛріністері мен жүйе эволюциясының мүмкін жолдарын
зерттеу негізінде кеңейтілуі тиіс. Материалдарды синтездеудегі фракталдардың трансформациялау
принциптері кӛпкомпонентті материалдар мен жабындардағы наноқұрылымдардың құрылу
механизмдерін анықтау үшін мультифракталдық параметрліліктің орындылығын анықтайды.
Хейфец М.Л., Витязь П.А., Колмаков А.Г., Клименко С.А., Сенють В.Т.
Физико-химический анализ неравновесных процессов синтеза наноструктурных
конструкционных материалов и покрытий.
В статье рассматриваются основные принципы анализа физико-химических диаграмм для изучения
неравновесных процессов формирования структур и фаз наноструктурных материалов и покрытий на
макро-, мезо-, микро- и наноструктурном уровнях. Показано, что для неравновесных процессов
синтеза материалов и покрытий на разных уровнях целесообразно дополнить основные принципы
физико-химического анализа. Принцип непрерывности необходимо дополнить рассмотрением
диссипации энергии при формировании структур и фаз. Принципы соответствия и совместимости
необходимо расширить на основе фрактальных представлений геометрических образов и изучения
возможных путей эволюции системы. Принципы трансформации фракталов при синтезе материалов
обуславливают целесообразность мультифрактальной параметризации для определения механизмов
формирования наноструктур в многокомпонентных материалах и покрытиях.
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Костромина О.С., Потапов А.А., Ракуть И.В., Рассадин А.Э.
Теріс сыйымдылыққа ие сегнетэлектрлік конденсатордан құрылатын тербеліс контурындағы
қорытқы гармоникалық бұрмаланулар.
Конденсатор ретінде теріс сыйымдылыққа ие екі қабатты сегнетэлектрлік құрылымы алынған
тербеліс контуры қарастырылды. Мұндай конденсатордың заряды гомоклиникалық «сегіздікке» ие
Дуффинг теңдеуімен сипатталатындығы кӛрсетілген. Осы екі қабатты құрылымдағы кернеу бойынша
сызықтық емес бұрмалану коэффициентінің контурда жиналатын электромагниттік энергиядан
тәуелділігі есептелінген. Бұл коэффициенттің гомоклиникалық сегіздіктің маңында асимптотикасы
анықталды. Контурдағы физикалық шамалардың реттілігіне бағалау берілген.
Костромина О.С., Потапов А.А., Ракуть И.В., Рассадин А.Э.
Суммарные гармонические искажения в колебательном контуре c сегнето-электрическим
конденсатором с отрицательной емкостью.
Рассмотрен колебательный контур, в который в качестве конденсатора включена двуслойная
сегнетоэлектрическая структура, обладающая отрицательной ѐмкостью. Показано, что заряд такого
конденсатора описывается уравнением Дуффинга с гомоклинической «восьмѐркой». Вычислена
зависимость коэффициента нелинейных искажений по напряжению на этой двухслойной структуре
от электромагнитной энергии, запасѐнной в контуре. Определена асимптотика этого коэффициента
вблизи гомоклинической восьмѐрки. Даны оценки порядков физических величин в контуре.
Карибаев Б.А., Жанабаев З.Ж., Темирбаев А.А., Иманбаева А.К., Намазбаев Т.А.
Жаңа фракталдық антеннаның бағытталу диаграммасы және оның ені
Кез-келген сымсыз қабылдап-таратқыш құрылғылардың маңызды элементі антенналар болып
табылады. Олардың формасы ақпаратты қабылдау мен таратудың сапасына әсер етеді. Бұл жүйелер
үшін, ӛлшемдері үлкен емес, кӛп диапазонды кең жолақты антенналар қажет. Осы жұмыста
анизотроптық қисық негізіндегі жаңа фракталдық антеннаның бағытталу диаграммасын анықтау
бойынша эксперименттік нәтижелер сипатталған. Фракталдық құрылым негізінде жасалған
антенналар ӛзұқсастық және масштабтық эффект қасиеттеріне ие. Осының барлығы стандартты
антенналармен салыстырғанда сәулеленудің бағытталу диаграммасының біртекті сипаттамасын
жиіліктің кең диапазонында бірегейлігін қамтамасыз етеді, антеннаның сызықты ӛлшемдерін
кішірейту (5-10 есе), алыс байланыс диапазондары үшін ӛте маңызды. Антеннаның сәуле ені
градуспен, ал бағытталу диаграммасының негізгі бӛлігінде ӛлшенетін бұрыштық ені ретінде
кӛрсетілген. Сондай-ақ, анизотроптық фракталдық антеннаның прототиптік үлгісінің енін анықтау
бойынша эксперименттік нәтижелер келтірілген. Эксперименттер үшін бұрын жасалған бағдарлама-
ақпараттық кешен пайдаланылды. Мұнда сәуле шығарушы антенна ретінде анизотроптық
фракталдық антенна қолданылды.
Карибаев Б.А., Жанабаев З.Ж., Темирбаев А.А., Иманбаева А.К., Намазбаев Т.А.
Диаграммы направленности и ширина главного лепестка новой фрактальной антенны.
Важным элементом любых приемопередающих беспроводных устройств являются антенны, форма
которых влияет на качество передачи и получения информации. Для этих систем требуются
многодиапазонные широкополосные антенны, размеры которых невелики. В настоящей работе
описаны экспериментальные результаты по определению диаграммы направленности новой
фрактальной антенны на основе анизотропной кривой. Фрактальные структуры, на основе которых
построены антенны, обладают свойствами самоподобия и характеризуются масштабными эффектами.
Все это обеспечивает уникальную по сравнению со стандартными типами антенн характеристики
однородности диаграммы направленности излучения в широком диапазоне частот, минимизируя (в 5-
10 раз) линейные размеры антенн, что особенно важно для диапазонов дальней связи. Ширина луча
антенны представляет собой угловую ширину, выраженную в градусах, которая измеряется на
основной доле диаграммы направленности антенны. Также приведены экспериментальные
результаты по определению ширины образца прототипа анизотропной фрактальной антенны. Для
экспериментов был использован созданный ранее нами программно-аппаратный комплекс. Здесь в
качестве излучающей антенны использовалась анизотропная фрактальная антенна.
SUMMARIES 127
Карстина С.Г.
Мультифракталдық талдау әдісін пайдалануымен дисперстік матрицадағы молекулалық кластерлердің
орнықтылығының болуын компьютерлік модельдеу және оның динамикасын сипаттау.
Жұмыста дисперстік молекулалық матрицадағы электрондық қозудың энергия тасымалдау және
аннигиляция процестерінің компьютерлік модельдеу нәтижелері ұсынылған. Ӛзара әрекеттесетін
молекулалардың бастапқы таралулардың әртүрлі типтеріне ие дисперстік молекулалық матрицалар
зерттелінді. Зерттелінетін матрицадағы ӛзара әрекеттесетін молекулалардың кинетикалық
тәуелділіктеріннің әртүрлі уақытша участкілерінде мультифракталдық талдау жүргізілді.
Электрондық қозудың энергия тасымалдауы және аннигиляция кезінде орнықты молекулалық
құрылымдардың пайда болуы жалпыланған фракталдық ӛлшемділіктерінің, тәртіптілік параметрінің
және ақпараттық энтропияның ӛзгеруіне әкелетіндігі кӛрсетілген. Жоғарыда айтылған
параметрлердің мәндеріне матрицаның температурасы, ӛзара әрекеттесетін молекулалардың
бастапқы таралуы және байланысқан түйіндерінің түзілетін кластердің санына әсер етеді.
Карстина С.Г.
Компьютерное моделирование и описание динамики образования устойчивых молекулярных
кластеров в дисперсных матрицах с использованием мульти-фрактального анализа
В работе представлены результаты компьютерного моделирования процессов переноса энергии
электронного возбуждения и аннигиляции в дисперсных молекулярных матрицах. Исследованы
дисперсные молекулярные матрицы с различным типом начального распределения
взаимодействующих молекул. Проведен мультифрактальный анализ распределения
взаимодействующих молекул в исследуемой матрице на различных временных участках
кинетических зависимостей. Показано, что образование устойчивых молекулярных структур при
переносе энергии электронного возбуждения и аннигиляции приводят к изменению обобщенных
фрактальных размерностей, параметра упорядоченности и информационной энтропии. На значения
перечисленных параметров оказывают влияние температура матрицы, начальное распределение
взаимодействующих молекул, число образующих кластер связанных узлов.
Комаров А.И., Сенють В.Т., Комарова В.И.
Гексагоналды бор нитридінен және алюминий нитридінің наноталшықтарынан синтезделген
аса қатты композиттің құрылымы.
Жұмыста кубтық бор нитридінің негізінде аса қатты композициялық материалдың құрылымын,
фазалық құрамы мен микроқаттылығын зерттеу нәтижелері келтірілген. Зерттелінетін материал AlN
наноқұрылымды алюминий нитридінің кӛмегімен түрлендірілген BN гексагональді түрлендіру
нәтижесінде алынған. Сканерлеу режимінде жазатын дифрактометрге негізделген
автоматтандырылған кешенде рентгенграфикалық фазалық талдаудан құрылатын
рентгенқұрылымдық зерттеу әдістемесі сипатталған. Композиттің микромеханикалық қасиеттері
наноиндентация әдісімен зерттелді. Жоғары қысымдар мен температураларда алынған материал
кубтық BN және AlN алюминий нитридінен басқа, гексагональдік кристалдық торға ие AlB2
алюминий боридінен құрылатындығы кӛрсетілген.
Комаров А.И., Сенють В.Т., Комарова В.И.
Структура сверхтвердого композита, синтезированного из гексагонального нитрида бора и
нановолокон нитрида алюминия.
В работе рассматриваются результаты исследования структуры, фазового состава и микротвердости
сверхтвердого композиционного материала на основе кубического нитрида бора. Исследуемый
материал получен из гексагональной модификации BN, модифицированной наноструктурным
нитридом алюминия AlN. Описана методика рентгеноструктурного исследования, включающая
рентгенографический фазовый анализ на автоматизированном комплексе на базе дифрактометра с
записью в режиме сканирования. Микромеханические свойства композита исследовались методом
наноиндентирования. Показано, что полученный в условиях высоких давлений и температур
материал содержит наряду с кубическим BN и нитридом алюминия AlN также борид алюминия AlB2
с гексагональной кристаллической решеткой.
128 ISSN 1811-1165 (Print) ISSN 2413-2179 (Online) Eurasian Physical Technical Journal, 2017, Vol.14, No.2(28)
Диханбаев Қ.К., Mұсaбeк Г.К., Сиваков В.А., Шабдан Е., Бондарев А.И.
Термиялық және магнетрондық тозаңдату арқылы алынған ZnO: Al қабықшасының
термоэлектрлік сипаттамасы
Бұл жұмыста ӛткізгіш және мӛлдір ZnO:Al қабықшасының электрлік сипаттамасының
температуралық тәуелділігі қарастырылған, ол екі әдіспен алынды: вакуумде термиялық тозаңдату
және иондық-плазмалық магнетрондық тозаңдату. Заряд тасымалдаушылардың меншікті
кедергісінің, концентрациясының, қозғалғыштығының температуралық тәуелділігі және де магниттік
кедергісінің ӛрістік тәуелділігі ӛлшенді. ZnO қабықшасын әр түрлі тәсілмен алюминий атомымен
легирлеу заряд тасымалдаушылардың ӛзгеруіне алып келеді, бӛлшектің шекарасымен қоспа
атомдарының ақаулары, сонымен қатар қоспаның концентрациясы артқан сайын қабықшаның
кедергісі тұрақты болып қала береді. Зеебек эффектісін ӛлшеуде барлық зерттелінген үлгілер үшін
магниттік кедергісі теріс және температура ӛскен сайын кемігені және легирлеу деңгейінің артатыны
кӛрсетілді. Сондықтан ZnO:Al қабықшасы электрӛткізгіш болып саналады. Магнит кедергісінің
абсолютті мәні 2,5% -тен артпайды. Сонымен, магнетрондық тозаңдаумен алынған қабықша кері
шағылысу және тұрақты қабат ретінде текстуралық және кремний наножіпшелерінде қолдануға
болады.
Диханбаев Қ.К., Mұсaбeк Г.К., Сиваков В.А., Шабдан Е., Бондарев А.И.
Термоэлектрические характеристики ZnO: Al пленки, полученные термическим и
магнетронным распылением
В настоящей работе рассматривается температурные зависимости электрических характеристик
проводящей и прозрачной пленки ZnO: Al, полученные двумя методами: термическое распыление в
вакууме и магнетронное ионно-плазменное распыление. Измерялись температурные зависимости
удельного сопротивления, концентрации, подвижности носителей заряда и полевой зависимости
магнитного сопротивления. Показано, что легирование пленки ZnO алюминием различными
способами распыления приводит к изменению переноса носителей заряда, дефектами примесных
атомов и границ зерен, кроме того, с увеличением концентрации примесей сопротивление пленки
остается постоянным. Измерение эффекта Зеебека показало, что магнитное сопротивление для всех
исследуемых образцов отрицательно и уменьшается с ростом температуры и увеличением уровня
легирования. Поэтому пленка ZnO:Al является электропроводящей. Абсолютное значение
магнитного сопротивления не превышает 2,5%. Таким образом, пленки, полученные магнетронным
распылением, могут быть использованы в качестве антиотражающего и устойчивого покрытия для
текстурированных и кремниевых нанонитей.
Қамбарова Ж.Т., Сәулебеков А.О.
Электрстатикалық квадрупольді-цилиндрлік өрістің негізінде айналық энергия талдағышын
жасап шығару.
Мақала электрстатикалық біртексіз квадрупольді-цилиндрлік ӛрістің негізінде айналық энергия
талдағышын жасап шығаруға арналған. Квадрупольді-цилиндрлік ӛрісте зарядталған бӛлшектердің
қозғалысы зерттелінген. Энергия талдағыштың электронды-оптикалық сұлбасының тоғыстаушы
қасиеттері анықталған. «Сақина-сақина» типті екінші ретті тоғыстау реттілігіне ие режим
анықталған. Аспаптың аппараттық функциясы алынған.
Камбарова Ж.Т., Саулебеков А.О.
Разработка зеркального энергоанализатора на основе электростатического квадрупольно-
цилиндрического поля.
Статья посвящена разработке зеркального энергоанализатора на основе электростатического
неоднородного квадрупольно-цилиндрического поля. Исследовано движение заряженных частиц в
квадрупольно-цилиндрическом поле. Определены фокусирующие свойства электронно-оптической
схемы энергоанализатора. Найден режим угловой фокусировки второго порядка типа «кольцо-
кольцо». Получена аппаратная функция прибора.
SUMMARIES 129
Көмеков С.Е., Саитова Н.К., Сырғалиев Е.О.
Хромды кешендермен түрлендірілген коллагендегі оптикалы қозған күйлердің миграциясы
Хром кешендерімен түрлендірілген коллагеннің фотолюминесценттік қасиеттері зерттелді.
Ультракүлгін аймақта қоздырылған фотолюминесценция спектрлерін талдауы хромды кешендердің
құрамы кӛбейген сайын ӛзіндік фотолюминесценцияның ӛшетіндігін кӛрсетті. Түрлендірілген
коллагенде де люминесценция спектрлері фенилаланин шыңының толық ӛшуімен ӛзгереді.
Фенилаланин және тирозин препараттарындағы, табиғи және түрлендірілген коллаген үлгілеріндегі
флуоресценцияның ӛшу кинетикасы ӛлшенді. Түрлендірілген коллагендегі хром құрамы кӛбейген
сайын, коллагеннің сәулелену центрлеріндегі үстем етушілік рӛл фенилаланинді қалдықтан тирозин
қалдығына ауысады.
Кумеков С.Е., Саитова Н.К., Сыргалиев Е.О.
Миграция оптически возбужденных состояний в модифицированном хромовыми комплексами
коллагене
Исследованы фотолюминесцентные свойства коллагена, модифицированного комплексами хрома.
Анализ спектров фотолюминесценции при возбуждении в ультрафиолетовой области показывает, что
собственная фотолюминесценция коллагена испытывает тушение с увеличением содержания
хромовых комплексов. В модифицированном коллагене спектры люминесценции также
деформируются с полным тушением фенилаланинового пика. Измерена кинетика затухания
фотолюминесценции образцов нативного и модифицированного коллагена, препаратов фенилаланина
и тирозина. С увеличением содержания хрома в модифицированном коллагене происходит
перераспределение доминирующей роли излучающих центров коллагена от фенилаланинового
остатка к тирозиновому.
Агельменев М.Е., Братухин С.М., Поликарпов В.В., Бектасова Г.С.,Сабиев С.Е., Салькеева А.К.
Фенолдардың арилпропаргил эфирлерінің жаңа туындыларының физика-химиялық
қасиеттерін модельдеу.
Берілген жұмыс фенолдардың арилпропаргил эфирлерінің жаңа туындыларының құрылысын,
дипольдік моменттерін кванттық-химиялық зерттеулеріне және молекулалардың фенильді
фрагменттерінің пара- орынбасарларымен әсерлесуін компьютерлік модельдеу бойынша
эксперименттеріне арналған. Фенолдардың арилпропаргил эфирлерінің жаңа туындыларының
дипольдік моменттері, жылу қалыптасушылығы және электро-терістіліктері ӛзара байланысқан екені
анықталған. Олардың құрылымдары сұйық кристалды қасиеттердің кӛрінуіне ықпал ететін
ұзартылған құрылымға ие екені кӛрсетілген.Фтор атомы бар қосылыста температура жоғарылаған
сайын орналасу реттілігінің деңгейінің ӛзгеруі осы болжамға сәйкес келеді. Мұндай зерттеулерде
параллельді күйдіру оңтайлы әдіс болатыны кӛрсетілді. Мезогендік бар кезінде молекулалардың
ұзындығының артуы оң диэлектрлік анизотропияға ие болатындығы анықталды. Фазалық ауысу
температурасын іздестіру ең жақсы түрде бастапқы кластер ретінде 10 пс-де күйдірілген кластер
қолданған жӛн екені анықталды.
Агельменев М.Е., Братухин С.М., Поликарпов В.В., Бектасова Г.С.,Сабиев С.Е., Салькеева А.К.
Моделирование физико-химических свойств новых производных арилпропаргиловых эфиров
фенолов.
Данная работа посвящена квантово-химическим исследованиям структуры, дипольных моментов и
экспериментам по компьютерному моделированию поведения новые производных
арилпропаргиловых эфиров с заместителями в пара- положениях фенильных фрагментов молекул.
Установлено, что дипольные моменты, теплоты образования и электро-отрицательность новых
производных арилпропаргиловых эфиров фенолов в целом коррелируют между собой. Показано, что
их структуры соединение имеют протяженную структуру, что может способствовать проявлению
жидкокристаллических свойств. Изменения степени упорядоченности при росте температуры в
соединении с атомом фтора соответствует этому предположению. Установлено, что параллельные
отжиги является оптимальным подходом при подобных исследованиях. Обнаружено, что увеличение
длины молекул, при наличии мезогенности, будут иметь положительную диэлектрическую
анизотропность. Установлено, что поиск температур фазовых переходов лучше осуществлять,
используя в качестве исходного кластера отожженный построенный кластер при 10 пс.
130 ISSN 1811-1165 (Print) ISSN 2413-2179 (Online) Eurasian Physical Technical Journal, 2017, Vol.14, No.2(28)
Агельменев М.Е., Братухин С.М., Поликарпов В.В., Бектасова Г.С., Сабиев С.Е., Салькеева А.К.
Нематикалық сұйық кристалдардар, көміртекті екі қабырғалы нанотүтікше және фуллерен
С60 молекулалардан құрылатын жүйені модельдеу.
Жұмыста фуллерендер мен кӛміртекті екіқабырғалы нанотүтікше молекулалары қатысуымен
нематикалық сұйық кристалдардың тәртібін компьютерлік модельдеуінің нәтижелері ұсынылған.
Жүйе компонентерінің бір-біріне қатысты 10 орналасу жағдайлары зерттелген. Нематикалық сұйық
кристалдар ретінде арилпропаргил эфирлері алынды. Полярлылық жүйеде болып жатқан процестерді
күрделендіретіні кӛрсетілген. Сұйық кристалдардың ақпараттық энтропияларының температуралық
тәуелділіктері бұл қосылыстардың орналасу реттілігінің ӛзгеруімен үйлеседі. Кӛміртекті нанотүтікше
ұштарында фуллерен молекулаларының орналасуы сұйық кристалдардың орналасу реттілігінің
кемуіне әкелетіні кӛрсетілген.
Агельменев М.Е., Братухин С.М., Поликарпов В.В., Бектасова Г.С.,Сабиев С.Е., Салькеева А.К.
Моделирование системы, состоящей из нематических жидких кристаллов, углеродной
двустенной нанотрубки из нанотрубки и молекул фуллерена С60.
В работе представлены результаты компьютерного моделирования поведения нематических жидких
кристаллов в присутствии молекул фуллеренов и углеродной двухстенной нанотрубки. Были
исследованы 10 случаев расположения компонент системы относительно друг друга. В качестве
нематических жидких кристаллов были арилпропаргиловые эфиры фенолов. Показано, что
полярность усложняет процессы, протекающие в системе. Обнаружено, что температурные
зависимости информационной энтропии жидких кристаллов согласуются с изменением
упорядоченности этих соединений. Установлено, что расположение молекул фуллеренов на концах
углеродных нанотрубок приводит к уменьшению упорядоченности жидких кристаллов.
Маханов Қ.М., Ермағанбетов Қ.Т., Исмаилов Ж.Т., Чиркова Л.В., Амочаева Г.П., Омарова Ж.Т.,
Аскербекова А.А.
Полимерлік қабыршақ матрицасындағы алюминий оксиді және графит болшектерін зерттеу.
Жұмыста полимерлік матрицада алюминий оксиді мен графит қабыршақтарын дайындау әдістемесін
ӛңдеу бойынша нәтижелер келтірілген. Шыны және алюминий таспаларының бетінде қабыршақты
жасау кезіндегі пайда болатың қиындықтар анықталған. Таспа ретінде қолдануға ен қолайлы
материал ретінде пластикті қолданған тиімді екені анықталған. Қабыршақтардың электрлік
кедергілерін ӛлшеу нәтижелері келтірілген. Таспаларды қосымша қыздырған кезде графит
бӛлшектерінен құралған қабыршақтардың біртектілігі артатыны байқалған. Алынған қабыршақтар
механикалық әсерлерге тӛзімді, себебі ӛлшеу құралдарымен әрекет кезінде бүлінбейді.
Маханов К.М., Ермаганбетов К.Т., Исмаилов Ж.Т., Чиркова Л.В., Амочаева Г.П., Омарова Ж.Т.,
Аскербекова А.А.
Исследование частиц графита и оксида алюминия в матрице полимерной пленки.
В работе представлены результаты по разработке методики изготовления пленок графита и оксида
алюминия в полимерной матрице. Определены сложности, возникающие при формирований пленок
на поверхности стеклянных и алюминиевых подложек. Установлено, что наилучшим материалом в
качестве подложек является пластик. Представлены результаты измерения электрических параметров
сопротивления пленок. Обнаружено, что при дополнительном нагреве подложек пленки из частиц
графита получаются более однородными. Данные пленки стабильны к механическим воздействиям,
так как не разрушаются при контакте с измерительными щупами.
Ибраев Н.Х., Сериков Т.М., Зейниденов А.К.
TiO2 нанотүтікшелердің құрылымдық, оптикалық және фотокаталитикалық қасиеттерін зерттеу
Жұмыста фотокатализде қолданылатын және жеткілікті беріктілікке ие болатын TiO2 нанотүтікшелер
негізінде мӛлдір қабыршақтарды синтездеу әдісі ұсынылды. Алынған материалдар ӛлшем бойынша
тар таралуға ие бақыланатын диаметрлі цилиндрлік кеуектердің реттелген құрылымына ие. TiO2
нанотүтікшілердің комбинациялық шашырау спектрлері зерттелді. Комбинациялық шашырау
спектрінің максимумдары титан анатаз формалы құрылымы үшін сипатты болатыны анықталды. TiO2
наноқұрылымды қабыршақтарының фотокаталитикалық тиімділігі бойынша есептеу жүргізілді.
SUMMARIES 131
Ибраев Н.Х., Сериков Т.М., Зейниденов А.К.
Исследование структурных, оптических и фотокаталитических свойств нанотрубок TiO2
В работе разработан метод синтеза прозрачных пленок на основе нанотрубок TiO2, обладающих
достаточной прочностью для использования в фотокатализе. Полученные материалы обладают
упорядоченной структурой цилиндрических пор контролируемого диаметра с узким распределением
по размеру. Исследованы спектры комбинационного рассеяния нанотрубок TiO2. Показано, что пики
спектров комбинационного рассеяния характерны для структуры с анатазной формы. Произведен
расчет по фотокаталитической эффективности наноструктурированных пленок TiO2.
Нурмаханова А.К., Афанасьев Д.А., Ибраев Н.Х.
Поли (9.9-ди-н-октилфлуоренил-2.7-диил) қабықшаларының спектрлік-кинетикалық
қасиеттеріне KI қоспасының әсері
КІ қоспасымен допирленген поли (9,9-ди-н-октилфлуоренил-2,7-диил) (PFO) жартылай ӛткізгіш
қабықшаларының спектрлік-кинетикалық қасиеттері зерттелген. Спектрлік мәліметтерді талдау
барысында, КІ тұздарын қосу PFO қабықшаларының реттік дәрежесінің кемуіне әкелетіні байқалды.
Вибронды бӛлшектену ӛлшемін (∆E), Хуанг-Рисс (S) факторын, қарқындылықтың концентрациялы
тәуелділігі және PFO жарқырауының ӛмір сүру уақытын талдау полимердегі фотоэлектронды
процестердің КІ қоспа концентрациясынан тәуелділігінің күрделі сипатын кӛрсетті. КІ полимерге
қосу наносекундты уақыт диапазонында PFO-ғы фотопроцестердің үдеуіне әкеледі және полимердегі
қозған триплеттік күйлердің концентрациясын арттырады. Аннигиляциялы баяуланған
флуоресценция мен фосфоресценция бойынша спектрлік-кинетикалық мәліметтерді талдау КІ
тұздарын қосу кезінде полимерлі қабықшалардың ретсіздігінің ӛсуіне әкелетінін кӛрсетті.
Нурмаханова А.К., Афанасьев Д.А., Ибраев Н.Х.,
Влияние примеси KI на спектрально-кинетические свойства пленок поли (9.9-ди-н-
октилфлуоренил-2.7-диил) Исследованы спектрально–флуоресцентные свойства полупроводниковых пленок поли (9,9-ди-н-
октилфлуоренил-2,7-диил) (PFO), допированных примесью KI. Анализ спектральных данных
показал, что добавление соли KI приводит к уменьшению степени упорядоченности пленок PFO.
Анализ величин вибронного расщепления (∆E), фактора Хуанга-Рисса (S), концентрационной
зависимости интенсивности и времени жизни свечения PFO показал сложный характер зависимости
фотоэлектронных процессов в полимере от концентрации примеси KI. Добавка KI в полимер
приводит к ускорению фотопроцессов в PFO в наносекундном временном диапазоне и увеличивает
концентрацию возбужденных триплетных состояний в полимере. Анализ спектрально-кинетических
данных по аннигиляционной замедленной флуоресценции и фосфоресценции также указывает на
рост неупорядоченности полимерных пленок при добавлении соли KI.
Загерис Гиртс, Якович Андрис, Геза Вадим
Бөлшектерді ұстайтын ағынды газификатордағы шлакты қалыптастыруын модельдеу. Газдандыру процестері жаңартылатын энергия кӛздеріне үлкен қызығушылық тудырады, ӛйткені
биоыдырайтын қалдықтардан синтездеу арқылы газ алу мүмкіндігі бар. Сондықтан газдандырудың
тиімділігіне әсер ететін факторларды және газдандыруды жүзеге асыратын машиналардың ұзақ
мерзімділігін зерттеу маңызды болып табылады. Зерттеуде шикізаттың бӛлшектерін ағынмен ұстап
тұратын қабырға-лардағы шлак қалдықтарын және техникалық қызмет кӛрсету шығындарын азайту
арқылы газификаторды оңтайландыруға баса назар аударылады. Нақты газификатордың үлгісі ретінде
«Ағындағы газификатор» үшін тиісті торына ие 3D-да ұсынылған CFD математикалық моделі құрылды.
Газификатордағы газдың турбуленттік ағыны кӛмірдің буландыру, жану және газдандыруды
құбылыстарды ескеретін k-ε тәсілімен модельденді. Модельдердің әр түрлі нұсқалары жүзеге асырылған,
ауаны жіберу әр түрлі позициялары бойынша нәтижелер және ұшпа заттар жою мен газдандыруға түсетін
әр түрлі ӛлшемді бӛлшектерді бақылау бойынша нәтижелер алынды. Модель бӛлшектердің кӛпшілігінің
газификатор қабырғаларымен соқтығысатын потенциалды проблемалық аймақтарды анықтайды. Бұл күл
қалдықтары пайда болуы мүмкін болатын қауіпті жағдайларды кӛрсетеді. Қорытындыда негізгі
газификаторға кіретін бӛлшектердің мӛлшерінің ауаның кіріс ашуындағы күл қабатының пайда болуына
әсері талқыланады. Қажетсіз түзілімдерді азайту үшін ӛмірге бейімді шешімдер ұсынылды. Сонымен
қатар, температура, газ қасиеттері және газ концентрациясы, сондай-ақ газдандыруға ұшыраған
бӛлшектерге әсер ететін түрлі күштер сияқты түрлі факторлардың әсеріне бағалау жүргізілді.
132 ISSN 1811-1165 (Print) ISSN 2413-2179 (Online) Eurasian Physical Technical Journal, 2017, Vol.14, No.2(28)
Загерис Гиртс, Якович Андрис, Геза Вадим
Моделирование формирования шлака в газификаторе с потоком, захватывающем частицы.
Процессы газификации представляют большой интерес в возобновляемой энергетике из-за
возможности получить синтез-газ из биоразлагаемых отходов. Поэтому важно изучить факторы,
которые влияют на эффективность газификации и на долговечность машин, в которых происходит
газификация. В исследовании основное внимание уделяется оптимизации газификатора, где частицы
сырья захватываются потоком, за счет уменьшения образования шлака на его стенах и снижения
затрат на техническое обслуживание. Для «газификатора в потоке» разработана математическая
модель CFD как модель реального газификатора, представленная в 3D с соответствующей сеткой.
Турбулентный поток газа в газификаторе моделируется с помощью k-ε подхода, учитывающего
процессы испарения, сжигания и газификации угля. Проведены различные варианты моделей,
получены результаты для разных позиций впуска воздуха и отслеживания частиц различных
размеров, подвергающихся удалению летучих веществ и газификации. Модель идентифицирует
потенциальные проблемные зоны, где большая часть частиц сталкивается со стенками газификатора.
Это указывает на области риска, в которых, вероятно, образуются зольные отложения. В заключение
обсуждается влияние размера частиц, поступающих в основной газификатор, на формирование
зольного слоя на отверстии воздухозаборника. Предлагаются жизнеспособные решения для
уменьшения количества нежелательных отложений. Кроме того, проведена оценка влияния
различных факторов, таких как температура, свойства газа и концентрация газа, и также различных
сил, действующих на частицы, подвергающиеся газификации.
Сатыбалдин А.Ж, Айтпаева З.К., Оспанова Д.А.
Электрогидроимпульсті өңдеу кезінде мұнайдың бензинді фракциясының қасиеті мен
құрылымына катализатордың әсерін зерттеу.
Сұйықтарды электрогидроимпульстік әдіспен ӛңдеудің күрделі тәжірибелі орындалуы нәтижесінде,
оның су-органикалық дисперстік жүйеге әсерінің механизмі толық зертттелмеген. Сұйықтар мен
кӛмірсутек қоспаларын электрогидроимпульстік ӛңдеу кӛптеген жағдайларда жеңіл және орташа
фракциялардың бӛлінуін жеңілдетуге мүмкіндік береді. Мақалада алынған фракциялардың
қасиеттеріне электрогидроимпульстік әсердің зерттеу нәтижелері келтірілген. Зерттеу нәтижелерінде
Қаражанбас кен орны мұнайының кинематикалық тұтқырлығы ӛлшемінің максималды азаюын
қамтамасыз ететін шарттар анықталды. Жоғары тұтқырлы мұнайдың жеңіл және орта
фракцияларының шығымын арттыруға мүмкіндік беретін электрогидроимпульстік әсермен ӛңдеу
уақытының ұзақтығы анықталды. Жоғары тұтқырлы мұнайды ӛңдеудің тиімді параметрлері
анықталды: коммутирлеуіш қондырғының разрядты кернеуінің және конденсатор батареясының
сиымдылығының мәндері.
Сатыбалдин А.Ж, Айтпаева З.К., Оспанова Д.А.
Исследование влияния катализатора на состав и структуру бензиновой фракции нефти при
электрогидроимпульсной обработке.
В результате сложного практического осуществления электрогидроимпульсной обработки жидких
сред до сих пор не достаточно полностью изучен механизм его влияния на свойства водно-
органической дисперсной системы. Электрогидроимпульсная обработка смеси жидкости и
углеводорода дает возможность в ряде случаев облегчить разделение легкой и средней фракции. В
статье приведены результаты исследование влияния электрогидроимпульсного воздействия на
свойства полученных фракций. В результате исследования определены условия, обеспечивающие
максимальное уменьшение величины кинематической вязкости нефти месторождения Каражанбас.
Установлена продолжительность времени электро-гидроимпульсной обработки, при котором
увеличивается выход легкой и средней фракций высоковязкой нефти. Определены оптимальные
параметры обработки высоковязкой нефти: значения разрядного напряжения коммутирующего
устройства и емкости конденсаторной батареи.
SUMMARIES 133
Төлеуов Ғ., Исатаев М.С., Сейдулла Ж.К.
Күрделі ағыстарды тәжірибелік зерттеу (үшөлшемді ағынша және дене соңындағы із).
Шекті ӛлшемді орай ағатын беттің жылу алмасуына зерттеу жүргізілді. Күрделі ағындардағы ірі
масштабты құрылымдардың дамуын зерттеудің тәжірибелік нәтижелері кӛрсетілген (дене соңындағы
із). Осындай ағыстардың үшӛлшемді еркін ағыншалармен жалпы ұқсастықтарының заңдылықтары
(аналогиясы) анықталды. Турбулентті еркін үшӛлшемді ағыншалардағы құйындар мен құйынды
кластерлердегі жылдамдықтар ӛрістерінің таралуы күрделі ағыншалы ағындардың түрлерінің бірі
ретінде анықталды. Күрделі ағыншалы ағындардың түрлері салыстырылды.
Толеуов Г., Исатаев М.С., Сейдулла Ж.К.
Экспериментальное исследование сложных потоков (трехмерный джет и тепловой след).
Проведены исследования теплообмена обтекаемой поверхности конечного размера. Показаны
экспериментальные результаты исследования развития крупномасштабных образований в сложных
потоках (след за телом). Обнаружены общие закономерности (аналогия) таких потоков с трехмерной
свободной струей. Распределение полей скоростей в вихрях и вихревых кластерах в турбулентных
свободных трехмерных струях были идентифицированы как одни из разновидностей сложных
струйных потоков. Показано сравнение разновидностей сложных струйных потоков.
Ершин Ш.А., Ершина А.К., Ыдырысова А.
Айналу өсі вертикаль орналасқан қос роторлы Бидарье-1 жел қондырғысы.
Мақала қазіргі заманғы жел энергетикасының мәселелеріне арналған. Қос роторлы Бидарье жел
энергетикалық қондырғысының артықшылықтары мен техникалық сипаттамалары сипатталған.
Айналу ӛсі вертикаль орналасқан қос роторлы Бидарье-1 жел турбинасының жартылай ӛндірістік
үлгісінің жұмыс істеу принципі мен концепциялары кӛрсетілген. Энергоблок конструкциясының
айырықша ерекшелігі, жел турбинасымен қосылған айналмалы қозғалыстағы валдардың бір-бірінен
тәуелсіз жұмыс істеу принципін пайдалану ұсынылған. Осы қарастырылып отырған Бидарье-1
оригинальді конструкциясы жел энергиясын пайдалану коэффициентінің жоғарғы мәнін алуға
мүмкіндік тудырады.
Ершин Ш.А., Ершина А.К., Ыдырысова А.А.
Вертикально-осевая двухроторная ветроустановка Бидарье-1.
Статья посвящена проблемам современной ветроэнергетики. Описаны технические характеристики и
преимущества двухроторных ветроэнергетических установок Бидарье. Показана концепция и
принцип работы оригинальных вертикально осевых двухроторных полупромышленных образцов
Бидарье-1. Предлагается использование независимого принципа работы вращающихся валов,
соединенных с ветровой турбиной, как отличительная особенность конструкции этого энергоблока.
Данная оригинальная конструкция Бидарье-1 позволяет получить высокий коэффициент
использования энергии ветра.
Супрун Т.Т.
Іздерге ие стационарлы емес ағынды физикалық модельдеу.
Турбомашиналардың күректер аралығындағы арналарда болатын ағын жоғары ағыс бойынша
орналасқан қалақшалы сақиналардан қалатын іздерінің нәтижесінде стационарлы емес болып
табылады. Тербелмелі цилиндр және «тежегішінің дӛңгелекнің» іздері бар стационарлы емес
ағындарды модельдеу үшін ең кӛп таралған генераторлар болып табылады. Жұмыстың мақсаты екі
түрлі ізі шығаратын генераторлар үшін сыртқы ағынның гидродинамикалық сипаттамаларын
салыстыру болып табылады. Жылдамдықтың корытқы бойлық пульсацияларын турбулентті және
стационарлық емес құраушыларға бӛлу әдістерін дамытуға ерекше назар аударылады. Осындай
ығысуы жоқ эквивалентке ие ағынмен айырбастау арқылы периодты стационарлы емес сыртқы
ағынның гидродинамикалық сипаттамаларын орташаландыру әдістері кӛрсетілді.
134 ISSN 1811-1165 (Print) ISSN 2413-2179 (Online) Eurasian Physical Technical Journal, 2017, Vol.14, No.2(28)
Супрун Т.Т.
Физическое моделирование нестационарного потока со следами.
Течение в межлопаточных каналах турбомашин является нестационарным из-за влияния следа от
лопастных колец, расположенных вверх по течению. Колеблющийся цилиндр и беличье колесо
являются наиболее распространенными генераторами следов для моделирования нестационарных
потоков со следами. Целью работы есть сравнение гидродинамических характеристик внешнего
потока для двух различных генераторов следов. Особое внимание уделено развитию методов
разделения суммарной продольной пульсаций скорости на турбулентную и нестационарную
составляющие и осреднения гидродинамических характристик внешнего потока с периодической
нестационарностью путем замены такого течения бессдвиговым эквивалентом.
Сақыпова С.Е., Танашева Н.К., Құсайынова А.Қ.
Кеуек бетті екі цилиндрлік қалақшалы желқозғалтқышының аэродинамикасын зерттеу.
Мақалада қалақшасы ретінде екі айналмалы цилиндрлерден құрастырылған жел турбинасының әр
түрлі ағынмен орап ӛту шарттары кезіндегі аэродинамикалық сипаттамаларын зерттеудің нәтижелері
қарастырылды. Цилиндрлік қалақшалардың беттері кеуекті және кӛлденең қимасы тұрақты екі
қалақшалы жел турбинасының моделі құрастырылып жасалды. Тәжірибелі макеттің сипаттамалары
және ӛлшеулерді жүргізу әдістемесі қысқаша сипатталған. Ауа ағынының әр түрлі орап ӛту
жағдайларында жел турбинаның аэродинамикалық сынақтар бойынша нәтижелері келтірілген.
Мандайлық кедергі күші, кӛтеру күші және тарту күшінің ауа ағынының жылдамдығынан
тәуелділіктері алынды. Ауа ағынының жылдамдығы ӛсуімен кеуек бетті екі цилиндрлік
қалақшалардан құрастырылған жел турбинасының аэродинамикалық күштерінің ӛзгеру
заңдылықтары ағынмен орап ӛтудің физикалық суретіне сәйкес келеді.
Сакипова С.Е., Танашева Н.К., Кусаиынова А.К.
Изучение аэродинамики двухлопастной ветротурбины с пористой поверхностью
цилиндрических лопастей
В статье обсуждаются результаты изучения аэродинамических характеристик двухлопастной
ветротурбины с вращающимися цилиндрами при различных условиях обтекания. Разработан и
изготовлен макет двухлопастной ветротурбины с пористой поверхностью цилиндрических лопастей
постоянного сечения. Кратко описываются характеристики опытного макета и методика проведения
измерений. Приведены результаты аэродинамических испытаний ветротурбины при различных
условиях обтекания. Получены зависимости подъемной силы, силы лобового сопротивления и силы
тяги от скорости воздушного потока. Закономерности изменения аэродинамических сил
двухлопастной ветротурбины с пористой поверхностью цилиндрических лопастей с увеличением
скорости набегающего воздушного потока соответствуют физической картине обтекания.
INFORMATION ABOUT AUTHORS 135
INFORMATION ABOUT
AUTHORS
АВТОРЛАР ТУРАЛЫ
МӘЛІМЕТТЕР
СВЕДЕНИЯ
ОБ АВТОРАХ
Afanasyev, D.A. - PhD, Senior research fellow, Executive Director of the Institute of Applied Mathematics,
Ministry of Education and Science of Republic Kazakhstan, Karaganda, Kazakhstan
Agelmenev, M.E. – Doctor of chem. sciences, Professor, Karaganda State University named after E.A.
Buketov, Karaganda, Kazakhstan
Aitpaeva, Z.K. - Candidate of chem. sciences, Docent, Physical-Technical Faculty, Karaganda State
University named after E.A. Buketov, Karaganda, Kazakhstan
Amochaeva, G.P. – Senior Lecturer, Department of Radiophysics and Electronics, Physical-Technical
Faculty, Karaganda State University named after E.A. Buketov, Karaganda, Kazakhstan
Askerbekova, A.A. –– student, Department of Radiophysics and Electronics, Physical-Technical Faculty,
Karaganda State University named after E.A. Buketov, Karaganda, Kazakhstan
Bektasova, G.S. – Candidate of philosophical sciences, Associate Professor, Head of the Department of
Physics and Technology, S. Amanzholov East Kazakhstan State University, Ust-Kamenogorsk, Kazakhstan
Bondarev, A.I. – Senior researcher, Semiconductor Instrument Manufactoring Educational Laboratory, of
Department of Physics and Technology, al-Farabi Kazakh National University, Almaty, Kazakhstan
Bratukhin, S.M. – Candidate of chem. sciences, Head of the Department of Informatics and Chemical
Technology, Central Kazakhstan Academy, Karaganda, Kazakhstan
Chirkova, L.V. – Candidate of phys.-math. sciences, Associate Professor, Department of Radiophysics and
Electronics, Karaganda State University named after E.A. Buketov, Karaganda, Kazakhstan
Dikhanbaev, K.K. - Candidate of phys.-math. sciences, Associate Professor, Head of the Semiconductor
Instrument Manufactoring Educational Laboratory, Department of Physics and Technology, al-Farabi
Kazakh National University, Almaty, Kazakhstan
Ermaganbetov, K.T. - Candidate of phys.-math. sciences, Associate Professor, Department of Radiophysics
and Electronics, Karaganda State University named after E.A. Buketov, Karaganda, Kazakhstan
Geza, Vadims - Ph.D, Senior researcher, Laboratory for mathematical modelling of environmental and
technological processes, University of Latvia, Riga, Latvia
Ibrayev, N.Kh. - Doctor of phys.-math. sciences, Professor, Director of Institute of Molecular
Nanophotonics, E.A. Buketov Karaganda State University, Karaganda, Kazakhstan
Imanbayeva, A.K.- Candidate of phys.-math. sciences, Associate Professor, al-Farabi Kazakh National
University, IETP, Almaty, Kazakhstan
Ismailov, Zh.T. – Candidate of phys.-math. sciences, Associate Professor, Department of Radiophysics and
Electronics, Karaganda State University named after E.A. Buketov, Karaganda, Kazakhstan
Issatayev, M.S. - Candidate of phys.-math. sciences, Associate Professor, Department of Heat and Mass
Transfer, IETP, al-Farabi Kazakh National University, Almaty, Kazakhstan.
Jakovics, Andris - Doctor of phys.-math. sciences, Head of the Chair for Electrodynamics and Continuum
Mechanics, University of Latvia, Riga, Latvia
Kambarova, Zh.T. – PhD, Docent, Physical-Technical faculty, Karaganda State University named after
E.A. Buketov, Karaganda, Kazakhstan
Karibayev, B.A. – PhD, Senior lecturer, IETP, al-Farabi Kazakh National University, Almaty, Kazakhstan
Karstina, S.G. - Doctor of phys.-math.sciences, Professor, Head of the Postgraduate Education and
International Programmes Department, Karaganda State University named after E.A. Buketov, Karaganda,
Kazakhstan
Kheyfetz, M.L. - Doctor of techn.sciences, Professor, «Center» SSPA, NAS of Belarus, Minsk, Belarus.
136 ISSN 1811-1165 (Print) ISSN 2413-2179 (Online) Eurasian Physical Technical Journal, 2017, Vol.14, No.2(28)
Klimenko, S.A. - Doctor of techn.sciences, Professor, V.N. Bakul Institute for Superhard Materials, NAS of
Ukraine, Kiev, Ukraine.
Kolmakov, A.G. - Doctor of phys.-math. sciences, Professor, A.A. Baykov Institute of Metallurgy and
Materials Science, Russian Academy of Sciences, Moscow, Russia.
Komarov, A.I. - Candidate of techn. sciences, Head of the laboratory, Joint Institute of Mechanical
Engineering of NAS of Belarus, Minsk, Belarus
Komarova, V.I - Candidate of techn. sciences, Leading Researcher, Joint Institute of Mechanical
Engineering of NAS of Belarus, Minsk, Belarus
Kostromina, O.S. - Candidate of phys.-math. sciences, Lobachevsky State University of Nizhny Novgorod,
Nizhny Novgorod, Russia
Kumekov, S. E. - Doctor of phys.-math. sciences, Professor, Director of the Hi-Tech Engineering Institute,
Satbayev University (JSC Kazakh National Research Technical University named after K.I. Satpaev),
Almaty, Kazakhstan
Kussaiynova A.K. - master student, Physical-Technical Faculty, Karaganda State University named after
E.A.Buketov, Karaganda, Kazakhstan
Makhanov, K.M. - Candidate of techn. sciences, Associate Professor, Department of Radiophysics and
Electronics, Karaganda State University named after E.A. Buketov, Karaganda, Kazakhstan
Musabek, G.K. - PhD, Senior lecturer, Department of Physics and Technology, al-Farabi Kazakh National
University, Almaty, Kazakhstan
Namazbayev, T.A. - Master, Lecturer, al-Farabi Kazakh National University, IETP, Almaty, Kazakhstan
Nurmakhanova, A.K. - PhD student, Department of Physics and Nanotechnology, Karaganda State
University named after E.A. Buketov, Karaganda, Kazakhstan
Omarova, Zh.T. – Teacher, Department of Radiophysics and Electronics, Physical-Technical Faculty,
Karaganda State University named after E.A. Buketov, Karaganda, Kazakhstan
Ospanova, D.A. - Master, Senior lecturer, Physical-Technical faculty, Karaganda State University named
after E.A. Buketov, Karaganda, Kazakhstan
Polikarpov, V.V. - Master, Engineer, Head of the Department of Informatics and Chemical Technology,
Central Kazakhstan Academy, Karaganda, Kazakhstan
Potapov, A.A. - Doctor of phys.-math. sciences, Professor, Academician, Head of the Chinese-Russian
laboratory of informational technologies and signals fractal processing of JNU-IREE RAS, JiNan University
(JNU), Guangzhou, China, V.A. Kotelnikov Intstitute of Radio Engineering and Electronics, RAS, Moscow,
Russia.
Rakut, I.V. - Candidate of phys.-math. sciences, Lobachevsky State University of Nizhny Novgorod,
Nizhny Novgorod, Russia
Rassadin, A.E. - Member of Direction, Nizhny Novgorod Mathematical Society, Nizhny Novgorod, Russia
Sabiev, S.Y. - Master student, S. Amanzholov East Kazakhstan State University, Ust-Kamenogorsk,
Kazakhstan
Saitova, N. K. – PhD student, Assistant, Department of General and Theoretical Physics, Satbayev
University (JSC Kazakh National Research Technical University named after K.I. Satpaev), Almaty,
Kazakhstan
Sakipova, S.E. - Candidate of phys.-math. sciences, Professor, Physical-Technical Faculty, Karaganda State
University named after E.A. Buketov, Karaganda, Kazakhsta
Salkeyva, A.K. - Candidate of chem. sciences, Docent, Karaganda State Technical University, Karaganda,
Kazakhstan
Satybaldin, A.Zh. - Candidate of chem. sciences, Docent, Physical-Technical faculty, Karaganda State
University named after E.A. Buketov, Karaganda, Kazakhstan
INFORMATION ABOUT AUTHORS 137
Saulebekov A.O. - Doctor of phys.-math. sciences, Professor, M.V. Lomonosov Moscow State University,
Kazakhstan branch, Astana, Kazakhstan
Seidulla, Zh. – Master, Lecturer, Department of Heat and Mass Transfer, IETP, al-Farabi Kazakh National
University, Almaty, Kazakhstan.
Senyut, V.T. - Candidate of phys.-math. sciences, Leading Researcher, Joint Institute of Mechanical
Engineering of NAS of Belarus, Minsk, Belarus.
Serikov, T.M. – PhD, Senior lecturer, Department of Physics and Nanotechnology, Karaganda State
University named after E.A. Buketov, Karaganda, Kazakhstan
Shabdan, E. - PhD student, of Department of Physics and Technology, al-Farabi Kazakh National
University, Almaty, Kazakhstan
Sivakov, V.A. - PhD, Professor, Leibniz Institute of Photonic Technology, Jena, Germany
Somsikov, V.M. - Doctor of of phys.-math. Sciences, Professor, Head of a laboratory, Institute of the
Ionosphere, Almaty, Kazakhstan
Suprun, T. - Candidate of techn. sciences, Senior Scientific Researcher, Institute of Engineering
Thermophysics National Academy of Sciences of Ukraine, Kyiv, Ukraine
Syrgaliyev, E. O. - Candidate of phys.-math. sciences, Professor, Director of the Center of Almaty
University of Energy and Communications.
Tanasheva, N.K. -Ph.D, Physical-Technical Faculty, Karaganda State University named after E.A. Buketov,
Karaganda, Kazakhstan
Temirbayev, A.A. - PhD, Senior lecturer, al-Farabi Kazakh National University, IETP, Almaty, Kazakhstan
Toleuov, G. - Candidate of phys.-math. sciences, Associate Professor, Department of Heat and Mass
Transfer IETP, al-Farabi Kazakh National University, Almaty, Kazakhstan
Vityaz, P.A. – Doctor of techn. sciences, Professor, Member of the National Academy of Sciences of
Belarus, Presidium of the National Academy of Sciences of Belarus, Minsk, Belarus.
Ydyryssova, A.А. - Master student, Kazakh State Women’s Teacher Training University, Almaty,
Kazakhstan
Yershin, Sh.A. - Doctor of techn. sciences, Professor, al-Farabi Kazakh National University, Almaty,
Kazakhstan
Yershina, A.K. - Doctor of phys.-math. sciences, Professor, Kazakh State Women’s Teacher Training
University, Almaty, Kazakhstan
Zageris, Girts – Researcher of the Laboratory for mathematical modelling of environmental and
technological processes, University of Latvia, Riga, Latvia
Zeinidenov, A.K. – PhD, Associate Professor, Department of Radiophysics and Electronics, Karaganda
State University named after E.A. Buketov, Karaganda, Kazakhstan
Zhanabaev, Z.Zh. - Doctor of phys.-math. sciences, Professor, al-Farabi Kazakh National University, IETP,
Almaty, Kazakhstan
138 ISSN 1811-1165 (Print) ISSN 2413-2179 (Online) Eurasian Physical Technical Journal, 2017, Vol.14, No.2(28)
About «Eurasian Physical Technical Journal»
ISSN 1811-1165 Key title: Eurasian physical technical journal (Print) Abbreviated key title: Eurasian phys. tech. j. (Print) ISSN 2413-2179 Key title: Eurasian physical technical journal (Online) Abbreviated key title: Eurasian phys. tech. j. (Online)
“Eurasian Physical Technical Journal” (Eurasian phys. tech. j.) is a peer-reviewed open access
international scientific journal publishing original research results on actual problems of Physic,
Technology and Engineering.
Since 2004 “Eurasian phys. tech. j.” is publishing in English. Periodicity is 2 issues per year.
The E.A. Buketov Karaganda State University is the main organizer and financial sponsor of
EAPhTJ. The efforts of the international highly qualified Editorial Board consisting prominent
physicists from 12 countries allow provide EAPhTJ international level.
Since 2004 more than 200 scientific papers written by physicists representing 23 countries were
published. Among the authors there are full members and corresponding members of National
Academies of Sciences of several countries and scientists with high H-index.
Since 2008 EAPhTJ has been included in the list of publications recommended by the Ministry
of Science Education and Science of the Republic of Kazakhstan for the publication of the main
results of the master's and PhD doctoral dissertations on the physical and mathematical sciences.
Publication Ethics and Malpractice Statement
Submission of an article to the Eurasian phys. tech. j. implies that the paper described has not
been published previously, that it is not under consideration for publication elsewhere, that its
publication is approved by all authors and tacitly or explicitly by the responsible authorities where
the paper was carried out, and that, if accepted, it will not be published elsewhere in the same form,
in English or in any other language, including electronically without the written consent of the
copyright holder. In particular, translations into English of papers already published in another
language are not accepted.
For information on Ethics in publishing and Ethical guidelines for journal publication see
http://www.elsevier.com/publishingethics and http://www.elsevier.com/journal-authors/ethics.
The Eurasian phys. tech. j. follows the Code of Conduct of the Committee on Publication Ethics
(COPE), and follows the COPE Flowcharts for Resolving Cases of Suspected Misconduct
(http://publicationethics.org/files/u2/New_Code.pdf).
To verify originality, your article may be checked by the originality detection service Cross
Check http://www.elsevier.com/editors/plagdetect.
Authors are responsible for the content of their publications. No other forms of scientific
misconduct are allowed, such as plagiarism, falsification, fraudu-lent data, incorrect interpretation
of other works, incorrect citations, etc. Authors are obliged to participate in peer review process and
be ready to provide corrections, clarifications, retractions and apologies when needed. All authors
of a paper should have significantly contributed to the research.
Reviewers should provide objective judgments and should point out relevant published works
which are not yet cited. Reviewed articles should be treated confidentially. The reviewers will be
chosen in such a way that there is no conflict of interests with respect to the research, the authors
and/or the research funders.
Editors have complete responsibility and authority to reject or accept a paper, and they will
only accept a paper when reasonably certain. They will preserve anonymity of reviewers and
promote publication of corrections, clarifications, retractions and apologies when needed.
FOR AUTHORS 139
The acceptance of a paper automatically implies the copyright transfer to the Eurasian phys. tech. j.
All submitted papers will the sent for reviewing to leading experts in the given area.
The Editorial Board of the Eurasian phys. tech. j. will monitor and safeguard publishing ethics.
The editors reserve the right to accept or reject manuscripts.
GUIDELINES FOR AUTHORS
Research articles, survey papers and short notes are accepted for exclusive publication in
the «Eurasian phys. tech. j. » in English
The manuscripts and short notes must contain original results of investigation in the
following scientific areas of Physics:
Non-linear Physics.
Modeling of the nonlinear physical - technical processes.
Energetics. Thermophysics. Hydrodynamics.
Material Sciences.
Technologies for creating new materials.
Ecological Aspects of New Technologies.
Engineering. Devices and methods of experiment.
All publishing manuscripts and short notes must have been recommended by a member of the
editor board or by the organization (University), where the work was performed. The author who
submitted an article for publication will be considered as a corresponding author.
The paper, short note or review paper shall include an abstract of the contents, not exceeding
200 words and keywords (no more than 10). The abstract must not coincide with the introduction or
conclusive part of the work and must not contain references, abbreviations and other unknown
words.
All articles should have list of keywords or terms (3 to 10) for indexing purposes.
The text of a paper must not exceed 8-12 pages including tables, figures (no more than 6) and
references. A short note must not exceed 4-5 pages including no more than 2 figures. A review
paper must not be more than 20 pages (including no more than 10 figures).
The text should be divided on structural parts: Introduction, Theoretical part, Experimental
technique, Results and Discussion, Conclusion, etc.
Printed copies shall be on good quality paper of International size A4. All texts must be printed
in Microsoft Word. It is preferable to use the Times fonts. The text must be printed in 12 point
letters, 1.5 intervals. There shall be a margin of 30 mm at the left-hand edge, of 15 mm at the fore
edge, of 30 mm at the head of the page and of 30 mm at the tail. All pages must be numbered.
Acknowledgments may be shown at the end of the article text, before REFERENCES.
All references must be numbered in the text (for example, [1], [2-4]) and listed in numerical
order.
Equations in your paper have to be written using the Microsoft Equation Editor or the
MathType (http://www.mathtype.com) for (Insert | Object | Create New | Microsoft Equation or
MathType Equation).
Tables must be inserted into the text.
Figures should be prepared in a digital form suitable for direct reproduction. Figures shall be
submitted on the separate sheets and not included into the text. The following files must be submitted via e-mail:
- Article text (*.doc);
- Figures (fig1.jpg, fig2.pcx);
- Figure captions (*.txt, *.doc).
140 ISSN 1811-1165 (Print) ISSN 2413-2179 (Online) Eurasian Physical Technical Journal, 2017, Vol.14, No.2(28)
The text file containing all Authors’ names, organizations, postal code, postal address,
telephone, fax, E-mail, scientific topic of the paper.
It is possible to use rar or zip compressors and to transmit the files as an attachment.
Title page (specimen)
UDC
TITLE
Smith J.H., Cooper H.J.
Karaganda State University named after E.A. Buketov, Karaganda, Kazakhstan, Universitetskaya Str. 28, Karaganda, 100028, Kazakhstan, email@for_correspondence.kz
Abstract
Keywords:
Introduction
Article text. Article text. Article text. Article text. Article text. Article text. Article text. Article
text. Article text. Article text Article text. Article text. Article text. Article text. Article text Article
text. Article text. Article text. Article text. Article text Article text. Article text. Article text. Article
text. Article text Article text. Article text. Article text. Article text. Article text…
Reference Format (specimen)
1 Nahar J., Wahedra M. Elastic scattering of positrons and electrons by argon. Physical Rewiew A,
1987, Vol. 35, No. 5, pp. 2051 – 2064.
2 Rivoalen H. Electrotubular heat exchanger in chemical industry. Proceeding of the 12th International
Congress on Electricity Applications. Birmingham, 1996, pp. 29 – 39.
3 Conrad H., Muhlbauer A., Thomas R. Elektrothermische Verfahrenstechnik. Vulkan-Verlag, Essen
Publ., 1993, 240 p.
The authors should represent References according to the requirements of international journals
on physics, but should to consult preliminarily for standard abbreviations of journal's names.
For more information on references guidelines for journal publication you see Harvard reference
system: http://www.emeraldgrouppublishing.com/authors/guides/write/harvard.htm?part=2