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Lecturer: JK Cheng ()
Fundamental
Theory
& Assumption
Engineers
Insight &
Experience
2
Plant-wide
Process
Unit Operation Model
Kinetic Model (optional)
Physical Property Model
3
Why Important
for Physical Property?
The thermo-physical-chemical properties and
molecular information are always used as input data.
If those information are unavailable or inaccuracy, it
would be difficult to improve the process. (Garbage
in Garbage out)
It may also be a disaster to the plant operation.
http://www.molinstincts.com/home/movie/playwhy
video.html (video)
Agenda
Startup in Aspen Plus (Basic Input)
Property Model Building-up
Chemical Component Input
Thermodynamic Model Selection
Model Parameter Input
10
Status message
11
More Information
12
Data Browser
The Data Browser is a sheet and form viewer with a
hierarchical tree view of the available simulation
input, results, and objects that have been defined
13
Status Indicators
14
Basic Input
The minimum required inputs to run a simulation
are:
Setup
Components
Properties
Streams
Blocks
Property Analysis
Process Simulation
15
Setup Specification
Run Type
Input mode
16
Description
Flowsheet
Use to
Components Specification
Input components
with Component name or Formula
18
Input components
19
Specification
To do this
Find
User Defined
Elec Wizard
Reorder
Review
20
Find Components
Click Find
21
22
24
Property Method
25
Definition of Terms
26
27
28
29
30
Peng-Robinson EOS:
fugacity Calculation
31
32
33
34
Reference: http://www.et.byu.edu/groups/uolab/files/aspentech/
35
: PR , SRK
(): BKI0
(50 atm) :
Chao-Seader
Grayson-Streed ()
{}:Wi l son
NRTL UNIQUAC
{}: UNIFAC
Henry's constant
36
More Suggestions
38
39
40
Assistant Wizard
41
NRTL
Vapor EOS
Liquid gamma
Liquid enthalpy
Liquid volume
42
43
44
46
47
CPIGDP-1
CPSDIP-1
DNLDIP-1
Liquid density
DHVLDP-1
Heat of vaporization
PLXANT-1
MULDIP
Liquid viscosity
KLDIP
SIGDIP
UFGRP
50
51
Go to Tools
Select Retrieve Parameters Results
52
53
54
55
56
Regression information
57
Missing Parameters
Model parameters are not available in Aspen Plus
Databank, such as
Pure Component: heat capacity, vapor pressure of liquid
Binary interaction: binary parameters
58
Property Estimation
59
Data Regression
60
Temperature = 320 K
water
BuOH
Xwater
0.005
2.514448 1.000005
0.015
2.500619 1.000062
0.025
2.486835 1.000175
0.975
0.985
0.995
1.008912
1.003467
1.000419
19.43257
25.36757
34.39399
0.975
0.985
0.995
Temperature = 360 K
water
BuOH
Xwater
0.005
2.612294 1.000008
0.015
2.593973 1.000080
0.025
2.575786 1.000224
0.975
0.985
0.995
1.007858 16.635210
1.003043 21.058600
1.000366 27.509640
1.008536 18.506050
1.003315 23.894510
1.000400 31.967500
Temperature = 380 K
water
BuOH
Xwater
0.005
2.637471 1.000009
0.015
2.617535 1.000085
0.025
2.597765 1.000241
0.975
0.985
0.995
1.007552 15.726690
1.002921 19.730980
1.000350 25.500570
Temperature = 340 K
water
BuOH
Xwater
0.005
2.572070 1.000007
0.015
2.555775 1.000072
0.025
2.539572 1.000202
0.975
0.985
0.995
1.008185 17.566440
1.003174 22.450770
1.000382 29.667170
Temperature = 400 K
water
BuOH
Xwater
0.005
2.649737 1.000010
0.015
2.628558 1.000092
0.025
2.607577 1.000256
0.975
0.985
0.995
1.007265 14.850190
1.002806 18.475030
1.000336 23.638950
Objective: Use NRTL model to fit the experimental data (activity data)
Input components
63
NRTL
Vapor EOS
Liquid gamma
Liquid enthalpy
Liquid volume
64
Data Regression
0.975
0.985
0.995
1.008912
1.003467
1.000419
19.43257
25.36757
34.39399
Specify ID
Select New
Select MIXTURE
2. Select components
3. Specify Temperature
Specify ID
Select New
?
NRTL/1
NRTL/2
NRTL/3
72
cij
Execute Regression
Click to run regression
Means
The run has completed normally, and results are
present.
Results for the run are present. Warning
messages were generated during the
calculations. View the Control Panel or History
for messages.
Input Changed
Regression Results
R-REGNRTL
(
MIXTURE)
paperDECHEMA
Lower bound
Upper bound
Initial value
RegressFix
Regress
Fix
Maximumlikehood
Control Panal
Aspen
Plus
binary
Txy
Pxy
Go
Data
New plot
Add to plot
All in OneY
In-house data
Google
102
103
DETHERM Internet
http://i-systems.dechema.de/detherm/
104
105
User-defined Component
& Property Estimation
106
Missing Component
in Aspen Databank
107
Missing Component
in Aspen Databank
108
109
110
111
Calculate Bonds
112
113
114
115
Estimate all
missing
parameters
Go
to Estima
tion input
116
117
118
Group Number
Number of occurrence
1105
11
3300
1605
119
120
121
122
123
124
125
126
To generate
Binary
Residue
Pure
Ternary
Azeotrope
Ternary maps showing phase envelope, tie lines, and azeotropes of ternary
systems
This feature locates all the azeotropes that exist among a specified set of
components.
129
Available Properties
Property (thermodynamic)
Property (transport)
Availability
Free energy
Constant pressure
Enthalpy
heat capacity
Heat capacity ratio
Fugacity coefficient
Constant volume heat Fugacity coefficient
capacity
pressure correction
Free energy departure
Vapor pressure
Free energy departure
Density
pressure correction
Enthalpy departure
Entropy
Enthalpy departure
Volume
pressure correction
Enthalpy of
Sonic velocity
vaporization
Entropy departure
Thermal conductivity
Surface tension
Viscosity
130
3. Select component
Data results
132
4. Specify range of
temperature
2. Select phase
5. Specify pressure
3. Select component
6. Select property method
134
To generate
Binary
Residue
Pure
Ternary
Azeotrope
Ternary maps showing phase envelope, tie lines, and azeotropes of ternary
systems
This feature locates all the azeotropes that exist among a specified set of
components.
135
Tips: Next
Invokes the Aspen Plus expert system. Guides you through the
steps required to complete your simulation.
Status message
Flowsheet Not
Complete
Required Input Not
Complete
Meaning
Flowsheet connectivity is incomplete. To find out why, click
the Next button in the toolbar.
Input specifications for the run are incomplete. Click Next
on the toolbar to find out how to complete the input
specifications, and to go to sheets that are incomplete.
137
Example: NEXT
138
139
140
Tips: Window
You should
Click the Process Flowsheet tab
Click the flowsheet in the background
Select the Process Flowsheet window
141
Help Topics
Go to Help
Select Help Topics
142
Help Topics
143
Help Topics
Calculation of Properties Using an Equation-of-State Property Method
144
File Type
Extension
Format
Description
Document
*.apw
Binary
Backup
*.bkp
ASCII
History
*.his
Text
Problem
Description
*.appdf
Binary