aspen tutorial - libvolume3.xyz tutorial terry a. ring ... – aspenplus – promax – chemcad –...
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Aspen Tutorial
Terry A. Ring
ChEN 4253
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Process Simulation Software
• Steady State Process Simulation– AspenPlus
– ProMax
– ChemCad
– Hysis
– HySim
– ProSim
– CADSim
– OLI Process Simulator
– KemSimp
– Chemical Workbench Code
– Ascend IV
• Dynamic Process Simulation– Aspen Dynamics
– CADSim
– Simulation Solutions, Inc.
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Types of Simulators
• ProMax
• Equation Based
– Solves block by block
• Aspen
• Puts all equations into
one Matrix equation
– Solves all Mass and Energy Balances at
once
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Basic Elements of a Simulation Program
Towler and Sinnott , “Chemical Engineering Design : Principles , Practice, Economics of Plant and Process Design” , Elsevier (2008)
**
* - Reaction Engineering, Mass Transfer, Heat Transfer, Fluid Mechanics
Numerical Methods
Thermodynamics
Thermodynamics
Other Subjects : Solid Mechanics, Manufacturing
Science
Economics
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Aspen
• Aspects of Aspen
– Next Button
– Many units that perform a given function
• Degrees of Freedom are chosen for you
– Setup for kinetic reactions are tricky
– Accounts for particle sizes
• Simple block models
– Automatic Plant Costing (Aspen Economics)
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Steps to Run
• Aspen (Left Hand Bar)
– Wiring up Process
– Title
– Components
– Thermopackage
– Process Flow Sheet
• Feed Stream
• Unit Specifications
– Fixed degrees of
freedom
– Run
– Results
– Report
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ThermoPackage Choice
• Questions for ThermoPackage Choice
• Are the components?
– Polar
– Non-Polar
• System Pressures?
– P< 10 atm - ideal gas
• Interaction Parameters Available?
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Eric Carlson’s Recommendations
E?
R?
P?
Polar
Real
Electrolyte
Pseudo & Real
Vacuum
Non-electrolyte
Braun K-10 or ideal
Chao-Seader,Grayson-Streed or Braun K-10
Peng-Robinson,Redlich-Kwong-Soave,Lee-Kesler-Plocker
Electrolyte NRTLOr Pizer
See Figure 2Figure 1
Polarity
R?Real or pseudocomponents
P? Pressure
E? Electrolytes
All Non-polar
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P?
ij?
ij?
LL?
(See alsoFigure 3)
P < 10 bar
P > 10 bar
PSRKPR or SRK with MHV2
Schwartentruber-RenonPR or SRK with WSPR or SRK with MHV2
UNIFAC and itsextensions
UNIFAC LLE
PolarNon-electrolytes
No
Yes
Yes
LL?No
No
Yes
Yes
No
WILSON, NRTL,UNIQUAC and their variances
NRTL, UNIQUACand their variances
LL? Liquid/Liquid
P? Pressure
ij? Interaction ParametersAvailable
Figure 2
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VAP?
DP?Yes
NoWilson, NRTL,UNIQUAC, or UNIFAC* with ideal Gas or RK EOS
Wilson NRTLUNIQUACUNIFAC
Hexamers
DimersWilson, NRTL, UNIQUAC,UNIFAC with Hayden O’Connellor Northnagel EOS
Wilson, NRTL, UNIQUAC,or UNIFAC with special EOS for Hexamers
VAP? Vapor Phase Association
Degrees of PolymerizatiomDP?UNIFAC* and its Extensions
Figure 3
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Bob Seader’s Recommendations
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Bob Seader’s Recommendations
LG?
E?
PC?
HC?
Yes
Yes
No
Yes
See Figure 5
Special: e.g., Sour Water (NH3, CO2, H2S, H2O)Aqueous amine solution with CO2 and H2S
PC?
No
Modified NRTL
No
No
PSRKYes
NoSee Figure 5
See Figure 6
HC? Hydrocarbons
LG? Light gases
PC? Organic Polar Compound
E? Electrolyte
Yes
Figure 4
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Figure 5
T?
P?
BP?
Narrow orwide
PR
LKP
Cryogenic
Non- Cryogenic
Critical
Non-Critical
SRK, PR
PR, BWRS
Very wide
HC and/ or LG
P? Pressure region
T? Temperature region
BP? Boiling point range of compound
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Figure 6
PPS?
BIP?
Available
UNIFAC
Yes
NoWilson
NRTL, UNIQUAC
Not Available
PC with HC
PPS? Possible PhaseSplitting
BIP? Binary InteractionParameters
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Hyprotech Recommendations
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Model Pure Binary Mixture VLE VLLE Notes
EOS (Equation of State)
SRK (Soave
RedlichKwong) ● ● ● ● ●
Gas Processing w ith No
Methanol, Refinery Distillation
Peng-Robinson● ● ● ● ●
Gas Processing w ith No
Methanol
SRK Polar● ● ● ● ●
Gas Processing w ith Methanol or
NMP
Peng-Robinson
Polar ● ● ● ● ●Gas Processing w ith Methanol or
NMP
Lee-Kesler
● ● ● ●Light Hydrocarbon Systems with
H2S and CO2, No 2nd Liquid Phase
Tillner-Roth and Friend
NH3 + H2O● ● ●
Ammonia Absorption
Refrigeration, Ammonia and/or
Water Only
ProMax Guidance(5 more pages like this)
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Problem-1
• Problem 5.12
• Alternatives in preparing a feed. A process under design requires that 100 lbmol/hr of toluene at 70F and 20 psia be brought to 450 F and 75 psia.
• Flow sheets using Peng-Robinson
– Boil-Superheat-Compress
– Pump to 75 psi-Boil-Superheat
– Which process uses the most energy?
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Design Spec
– What Then How (WtH)• What do I want to specify?
• What do I want to vary to control it?
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Which System has the most
Energy?• Moving from To, Po to Tf, Pf
– STATE PROPERTY
• Enthalpy change is the same if the end
points are the same.
• Why is Boil then Compress not
suggested? Heuristic 43
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Problem -2
• Use Gibbs
Minimization reactor
in Aspen to determine
the products of
reaction at 10 atm and
200 C.
• Feed equimolar in CO
and H2
)(
2
22
32
sCOHHCO
OHCHHCO
+⇔+
⇔+
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Sensitivity Analysis
• Produces Table of Results using a Do
Loop to vary one (or more variables)
• What Then How
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Problem 3
• Use Equilibrium Reactor to determine
reactor conversion for methanol reaction
at 10 atm and 200C
• Use sensitivity analysis to determine
reactor conversion at a suite of
temperatures
OHCHHCO32
2 ⇔+
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Problem -4
• Determine the
resulting
equilibrium at 10
atm and 200 C
using an
equilibrium reactor
in Aspen with both
of the reactions
listed.
)(
2
22
32
sCOHHCO
OHCHHCO
+⇔+
⇔+
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Problem 5
– Vapor-Liquid Equilibrium
• 40mole% Ethanol – water
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Problem 6
• Liquid-Liquid Equilibria
– Polar - polar
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Problem 7
• Liquid-Liquid Equilibria
– Polar - non-polar
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Problem 8
• Multiple component phase equilibria
– Methane – 0.1 mole fraction
– Ethane – 0.2
– Propane- 0.3
– Butane- 0.3
– Methyl ethyl keytone -0.1
– 10 atm, 10°C
– Use Ideal and Peng Robinson Thermo Pkg.
• Compare results
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Example-9
• Distillation/Flash
• Methanol – Water
– 100 lbmole/hr
• Flash at 90C, 1 atm
• Distillation
– R=2
– BoilUp Ratio=3