process simulation, optimisation and design. p.s.o.d. organization issues

Process simulation, optimisation Process simulation, optimisation and designand design

P.S.O.D.P.S.O.D.

ORGANIZATION ISSUES ORGANIZATION ISSUES

Course scopeCourse scope

IntroductionIntroduction MathCADMathCAD Introduction to CAPEIntroduction to CAPE

– Simple simulation of liquid flow and heat Simple simulation of liquid flow and heat transfer processtransfer process

ChemCAD (by dr Robert Kubica)ChemCAD (by dr Robert Kubica)

Process simulation, optimisation Process simulation, optimisation and designand design

Course objectives Course objectives

Provide the students with:Provide the students with:– using specialized software for mathematical using specialized software for mathematical

problems solutionproblems solution, , modeling and engineeringmodeling and engineering– clear understanding of what is clear understanding of what is

» a process simulation, a process simulation, » a process optimization a process optimization » process designprocess design

– using using a mathematical a mathematical software to solve simulation software to solve simulation problemproblem

– using specialized software for steady state process using specialized software for steady state process simulation simulation

– using specialized software for dynamic process using specialized software for dynamic process simulationsimulation

Lectures are available on the Lectures are available on the web web address address

www.chemia.polsl.pl/~jkocurek/Studenci.htmlwww.chemia.polsl.pl/~jkocurek/Studenci.html

IntroductionIntroduction

All the issues related to All the issues related to simulation requiressimulation requires.... ....

The Model,The Model, what what is itis it??

A model is a representation of some aspects A model is a representation of some aspects of real world objects by:of real world objects by:– other parameters easier to measure other parameters easier to measure – scaled down objectsscaled down objects– equations and numbers – mathematical modelsequations and numbers – mathematical models

The Model,The Model, what for?what for?

A good model of the apparatus is needed to:A good model of the apparatus is needed to:– create a correct standalone apparatus designcreate a correct standalone apparatus design– create a correct process, consists of many create a correct process, consists of many

apparatus: apparatus: » simulationsimulation

» optimizationoptimization

» designdesign

The tools...The tools...

pen and piece of paper (supported by basic pen and piece of paper (supported by basic calculation hardware) usually enough for calculation hardware) usually enough for the standalone apparatus design the standalone apparatus design

even quite simple process optimization even quite simple process optimization problem needs to involve the computer to problem needs to involve the computer to complete the mission in reasonable time.complete the mission in reasonable time.

Ammonia synthesis plant

13 streams8 params per stream20 params of equip.means 124 variables!

e.g. 39 params defined by designerleaves 85 equations to solve!!!

Model, Model, how to how to useuse??

ManuallyManually– We need: We need:

» KnowledgeKnowledge about the processabout the process to create the model to create the model

» Paper and penPaper and pen

» Log tables, slide rule, calculatorLog tables, slide rule, calculator

» Mathematical skillsMathematical skills

Computer supported calculationComputer supported calculation– We needWe need::

» Knowledge about the process to create the model or to use model Knowledge about the process to create the model or to use model created by someone else,created by someone else,

» PROGRAMPROGRAM

» SkillSkillss inin the the program use program use

COMPUTER COMPUTER PROGRAMPROGRAM DEFINITIONDEFINITION

„„Set of instructions in a logical sequence Set of instructions in a logical sequence interpreted and executed by a computer enabling interpreted and executed by a computer enabling the computer to perform a required function; the computer to perform a required function; also called software. Programs are the "thought also called software. Programs are the "thought processes" of computers, without which they processes" of computers, without which they cannot operate. Programs are written in various cannot operate. Programs are written in various languages, to conform with the operating system languages, to conform with the operating system of particular computers.of particular computers.””

„„Set of instructions in a logical sequence Set of instructions in a logical sequence interpreted and executed by a computer enabling interpreted and executed by a computer enabling the computer to perform a required function; the computer to perform a required function; also called software. Programs are the "thought also called software. Programs are the "thought processes" of computers, without which they processes" of computers, without which they cannot operate. Programs are written in various cannot operate. Programs are written in various languages, to conform with the operating system languages, to conform with the operating system of particular computers.of particular computers.””

Computer supported calculationComputer supported calculation PROGRAMPROGRAM

– Written by user, using programming language:Written by user, using programming language:» Low level (assLow level (asseembler)mbler)

» High level (C, Pascal, Fortran, Basic)High level (C, Pascal, Fortran, Basic)

– Written by user, using common applications for Written by user, using common applications for calculation calculation

» Spreadsheets (Excel, Calc)Spreadsheets (Excel, Calc)

» Mathematical tools (Mathematical tools (MathCADMathCAD,, MathLab, MathLab, Mathematica Mathematica))

– Specialized software for process simulationSpecialized software for process simulation (AspenOne, ProSIM, (AspenOne, ProSIM, ChemCADChemCAD))

PROGRAMPROGRAM– Written by user, using programming language:Written by user, using programming language:

» Low level (assLow level (asseembler)mbler)

» High level (C, Pascal, Fortran, Basic)High level (C, Pascal, Fortran, Basic)

– Written by user, using common applications for Written by user, using common applications for calculation calculation

» Spreadsheets (Excel, Calc)Spreadsheets (Excel, Calc)

» Mathematical tools (Mathematical tools (MathCADMathCAD,, MathLab, MathLab, Mathematica Mathematica))

– Specialized software for process simulationSpecialized software for process simulation (AspenOne, ProSIM, (AspenOne, ProSIM, ChemCADChemCAD))

MathCADMathCADMathCADMathCAD

The mathematical toolThe mathematical toolThe mathematical toolThe mathematical tool

IntroductionIntroduction User interfaceUser interface

– Writing Writing cursorcursor ' '++''– MathMath ttoolbarsoolbars : :

» Calculator – equation symbolsCalculator – equation symbols» Graph – building the chartsGraph – building the charts» Matrix – inserting matrix/vectors, matricesMatrix – inserting matrix/vectors, matrices and vectoral and vectoral

operationoperation» Calculus – derivatives, integrals, limits, summation, iterated Calculus – derivatives, integrals, limits, summation, iterated

productproduct» Symbolic Symbolic » Evaluation Evaluation » Boolean –logical operationBoolean –logical operation» ProgrammingProgramming» Greek – inserting Greek lettersGreek – inserting Greek letters

– Turn of the Resource center at startup Turn of the Resource center at startup View/Preferences/Startup OptionsView/Preferences/Startup Options (ver. 2001) (ver. 2001)

Basic operationsBasic operations– Typing:Typing:

» "normal" – text"normal" – text Forced by: [shift]+["]Forced by: [shift]+["] Automatically: after space insertionAutomatically: after space insertion

» "variable" – interpreted by program "variable" – interpreted by program Default Default

– The typing modes are identified by style:The typing modes are identified by style:» Normal – Font is Arial (by default)Normal – Font is Arial (by default)

» Variable – Font is Times (by default)Variable – Font is Times (by default)

– Assign symbol":=" (keystrokes[:][=])Assign symbol":=" (keystrokes[:][=])

Numbers notationNumbers notation– Floating-point notation:Floating-point notation:

1.231.23··101044

Multiplication symbol [*] Superscript (exponent) [^]

keystrokeskeystrokes : [1][.][2][3][*][1][0][^][4]

MathCAD introMathCAD intro Algebraic expressions Algebraic expressions

– +,-,+,-,//,*(not always needed), power [^],*(not always needed), power [^]– Functions arguments "(...)"Functions arguments "(...)"– ResultResult ( (evaluationevaluation)): [=]: [=]

Expression typing – standardExpression typing – standard mathematical mathematical notationnotation::

554.103ln33

2 2

[2][/][3][+][3][^][2][][l][n][(][3][)][=]

To go back to basic level press spacebar or arrow right [2][/][3][+][3][^][2][space bar][l][n][(][3][)][=]

or

MathCAD introMathCAD intro

VariablesVariables notationnotation– Latin and Greek alphabet ( [ctrl] + [g] Latin and Greek alphabet ( [ctrl] + [g] afterafter

typing Latin letter)typing Latin letter)– Case sensitivity: xCase sensitivity: xXX– Subscripts (Subscripts (not vector/matrix subscriptsnot vector/matrix subscripts) [.]) [.]– Prim: x`, bis: x`` Prim: x`, bis: x`` etcetc..

MathCAD introMathCAD intro Assigning values and expressions (Assigning values and expressions (similar to similar to

PascalPascal programming languageprogramming language))– One value assigned to one variable:One value assigned to one variable:

xx:=5:=5keystrokeskeystrokes: [x][:][5]: [x][:][5]

– Range of arithmetic progression assigned to variableRange of arithmetic progression assigned to variable» Default step: x:=0..3 (means numbers 0, 1, 2, 3)Default step: x:=0..3 (means numbers 0, 1, 2, 3)

keystrokeskeystrokes [x][:][0][x][:][0][;][;][3][3]

» Defined step: x:=0,Defined step: x:=0,0.0.2..2..11 (means numbers 0, (means numbers 0, 0.0.2, 2, 0.0.4, 4, 0.0.66, , 0.8, 10.8, 1) ) keystrokeskeystrokes [x][:][0][,][x][:][0][,][0][.][0][.][2][2][;][;][[11]]

– Expression to variable:Expression to variable:yy:=2:=2··xx+3+3 keystrokeskeystrokes : [y][:][2][*][x][+][3] : [y][:][2][*][x][+][3]

Variable x has to be defined earlier

MathCAD introMathCAD introCorrect Incorrect

MathCAD introMathCAD intro EEdition dition of tof the expressionshe expressions

– To change the position of edited place press To change the position of edited place press » space barspace bar

» navi arrowsnavi arrows

Vertical line: shows place of insertion Horizontal: shows range will be inserted into function etc.

MathCAD functionsMathCAD functions Standard functions setStandard functions set Functions definitionFunctions definition

– Syntax:Syntax:FunctionName(arg1, arg2,...):= expression of arg1, arg2,....FunctionName(arg1, arg2,...):= expression of arg1, arg2,....

– E.g. f(x,y):=xE.g. f(x,y):=x··yy keystrokes : [ keystrokes : [ff][][((][][xx][,][][,][yy][][))][][::][][xx][][**][][yy]]

Calculations with use of defined (or predefined) Calculations with use of defined (or predefined) functions:functions:– Evaluation for constantsEvaluation for constants

– Evaluation for defined variablesEvaluation for defined variables

– Evaluation for range of constants/vectorsEvaluation for range of constants/vectors

local variables

MathCAD functionsMathCAD functions

Function of constant (Function of constant (number, number, scalar)scalar)


Function of variableFunction of variable

Local variable

Global variable


Range of arithmetic sequenceRange of arithmetic sequence


2D g2D graphs: raphs: – Function of one variable f(x)Function of one variable f(x)

keystrokes : [f][(][x][)][shift]+[2][x] keystrokes : [f][(][x][)][shift]+[2][x]


Graphs: Graphs: – Default independent values range: -10 ÷ 10

– Can be edited

Graphs: Graphs: – Several functions of one independent variableSeveral functions of one independent variable range range: f(x), g(x)@x: f(x), g(x)@x

keystrokes : [f][(][x][)][,] [g][(][x][)][shift]+[2][x] keystrokes : [f][(][x][)][,] [g][(][x][)][shift]+[2][x]


Graphs: Graphs: – Several functions of several different independent variable range: Several functions of several different independent variable range:

f(x), g(z)@x, zf(x), g(z)@x, z keystrokes : [f][(][x][)][,] [g][(][ keystrokes : [f][(][x][)][,] [g][(][zz][)][shift]+[2][x][,][z]][)][shift]+[2][x][,][z]


Graphs formatting: Graphs formatting:



Show markers enabledShow markers enabled

process simulation, optimisation and design. p.s.o.d. organization issues

Documents

introduction slide

slide rule

correct process

calculation computer

model paper

simulation problem

good model

dr robert kubica slide