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Welcome to the Aspen Plus webinar series
Using Aspen Properties in Excel
Chris Inglis, Product Management
October 19, 2016
The Team
Chris Inglis, Product Management
David Tremblay, Senior Director,
Product Management
Tami Okano, Product Marketing
Yuhua Song, Sr. Principal Engineer,
Research & Development
2
© 2015 Aspen Technology, Inc. All rights reserved
Agenda
• What’s New in Aspen Properties?
• Aspen Properties in Excel
• Demonstration
• Q&A
3
© 2015 Aspen Technology, Inc. All rights reserved
Accurate Physical Properties Are Essential
Narrow boiling olefin system:
140 trays required
$18 Million Column
With 5% error in VLE predictions:
280 trays required
2 x $ 18 Million Columns
an 18 MM$ error
4
© 2015 Aspen Technology, Inc. All rights reserved
Advantages of Aspen Properties
• State-of-art property models
• Extensive collection of property data
• DIPPR pure component data
• NIST pure – Over 24,000 components
• NIST source – over 4 million sets of
experimental data
• Binary parameters for over 30k pairs
• Estimate properties from structure
R&D 100 Award Winner 2009
• Unique polymer property models
• Tight integration with Excel
5
© 2015 Aspen Technology, Inc. All rights reserved
Improvements in Physical Properties (1)
New in Aspen Plus v9
New VTPR Model
Support for CAPE-OPEN 1.1
Updated Databases
•
DIPPR May 2015
•
NIST – TDE 10.0 / Source 10.2
(pure & binary)
•
Improved APED SQL security
NIST 5x faster
Aspen Plus features the best physical property system of any commercial
simulator with the widest range of models and parameters – this sets Aspen
Plus apart from low-cost imitators
6
© 2015 Aspen Technology, Inc. All rights reserved
Improvements in Physical Properties (2)
New in Aspen Plus v9
Aspen Properties in Excel
Improved Binary Analysis
Evaluate
Entrainers
• New Ribbon-based workflow
• Installed by default – easy to find
• Manage version with Aspen Excel
add-in manager
Log Steps Option
7
• Embed property file in Excel for easy
deployment & portability
© 2015 Aspen Technology, Inc. All rights reserved
Cubic Plus Association (CPA) Equation of State
New in V8.8
345
T-xy diagram for METHANOL/C6
• VLE and LLE predictions from a single,
limited set of parameters using an EOS
340
335
330
325
• Pure parameters for > 140 components
320
315
310
• Binary parameters for > 230 pairs
Temperature, K
305
300
• Able to address complex systems:
295
290
285
280
275
270
265
260
x 1.0133 b ar
• Non-polar
y 1.0133 b ar
Exp . y M-C6-D3 (1.01325 bar)
Exp . x M-C6-D3 (1.01325 b ar)
• Polar
Exp . x2 M-C6-D2
Exp . x1 M-C6-D2
TEMP, 1.0 b ar
TEMP, 1.0 b ar
• Associating compounds
255
250
245
240
0.00 0.05 0.10 0.15 0.20 0.25 0.30 0.35 0.40 0.45 0.50 0.55 0.60 0.65 0.70 0.75 0.80 0.85 0.90 0.95 1.00
• Emphasis on methanol, water,
hydrocarbons, H2S, CO2
Liqu id/vapor mo le fraction, METHANOL
8
© 2015 Aspen Technology, Inc. All rights reserved
VT-PR Equation of State Model
New in V9
•
New Volume-Translated Peng-Robinson Equation of State (VT-PR)
•
Ranked 2nd among top 5 requests made by EGAS in 2015
•
Addresses deficiencies of PSRK
9
•
More accurate liquid density
•
Improved prediction of asymmetric systems
•
Allowed simultaneous data regression from VLE, hE and ∞ data
© 2015 Aspen Technology, Inc. All rights reserved
VT-PR Model Implementation
• Implemented as built-in property method
– With option to change activity coefficient model used to e.g., NRTL (Selected Methods|Models tab)
• With all known published group and group-group interaction parameters
–
J. Ahlers and J. Gmehling, Development of an universal group contribution equation of state: I. Prediction of liquid densities for pure compounds with a volume translated Peng-Robinson equation of
state. Fluid Phase Equilibria, 2001, 191, 177-188.
–
J. Ahlers and J. Gmehling, Development of an universal group contribution equation of state: 2. Prediction of vapor-liquid equilibria of asymmetric systems, I&EC Research, 2002, 41, 3489-3498.
–
B. Schmid, and J. Gmehling, Revised parameters and typical results of VTPR group contribution equation of state, Fluid Phase Equilibria, 2012, 317, 110-126.
–
B. Schmid, A. Schedemann, and J. Gmehling, Extension of the VTPR group contribution equation of state: Group Interaction Parameters for Additional 192 Group Combinations and Typical Results, I&EC
Research, 2014, 53, 3393-3405.
• With AspenTech’s Twu’s alpha function and volume-translation parameters from APV90 database
10
© 2015 Aspen Technology, Inc. All rights reserved
VT-PR Model Validation
• Validated against experimental data using systems from
published literature on VT-PR
• Including density, VLE (Txy, Pxy, xy, PT-envelope), LLE, SLE, ϒ∞,
excess enthalpy and excess molar volume
• The next slides compare the plots generated using the results
from Aspen Properties with the figures published in the
literature
11
© 2015 Aspen Technology, Inc. All rights reserved
VT-PR Validation: Saturation Density
Pure Saturation Density
12
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Mixed Saturation Density
VT-PR Validation: VLE (Pxy)
13
© 2015 Aspen Technology, Inc. All rights reserved
VT-PR Validation: VLE (Txy)
14
© 2015 Aspen Technology, Inc. All rights reserved
VT-PR Validation: LLE and SLE
15
© 2015 Aspen Technology, Inc. All rights reserved
VT-PR Validation: ϒ∞
16
© 2015 Aspen Technology, Inc. All rights reserved
VT-PR Validation: PT-Envelope
17
© 2015 Aspen Technology, Inc. All rights reserved
VT-PR Validation: Excess Molar Enthalpy
18
© 2015 Aspen Technology, Inc. All rights reserved
VT-PR Validation: Excess Molar Volume
19
© 2015 Aspen Technology, Inc. All rights reserved
Property Sets Are Now Constrained to One Physical Type
Unique Property Sets for Mass, Mole, and Flow-Based Properties
Using different property IDs for different types of properties
eliminates problems with copy/paste to sensitivity (etc)
because the types are now unique
20
© 2015 Aspen Technology, Inc. All rights reserved
Other Enhancements in Aspen Plus / Properties v9
• Improve handling for ice formation in compressors with electrolyte models
• Extended Cubic-Plus-Association (CPA) model to address type 1A association
to improve accuracy for systems involving acids
• The RTOMXB, RTOSRK, and RTOSTM property methods have been reintroduced to provide upward compatibility for old RT-Opt projects
– New projects use the MXBONNEL, SRK, and STMNBS2
21
© 2015 Aspen Technology, Inc. All rights reserved
Aspen Properties v9
Property Analysis Enhancements
New PseudoBinary option
New option for
logarithmic
steps
22
© 2015 Aspen Technology, Inc. All rights reserved
Aspen Properties v9
Property Analysis Enhancements
Pseudo-binary option - Useful in studying the impact of an
entrainer (solvent) on breaking a binary azeotrope.
23
© 2015 Aspen Technology, Inc. All rights reserved
Database Updates, NIST/TDE Enhancements
• Implemented latest public version of DIPPR database (May, 2015)
• Implemented latest release of NIST TDE and database (TDE V10; Database V10.2).
– Updated pure components and binary interaction parameters for NRTL, Wilson and
UNIQUAC
• Improved performance (speed) of NIST TDE
– Now runs much faster (seconds vs. minutes)
– Water (30 secs. vs. 2:30 mins)
– Acetone (10 secs vs. 25 secs)
– Water-Ethanol (30 secs vs. 2:10 mins)
24
© 2015 Aspen Technology, Inc. All rights reserved
Database Updates, NIST/TDE Enhancements (Continued)
• Added DIPPR components
Alias
C3H4O2
C20H36O4-D1
CL6OSI2
C6H5NAO
C13H10O3
Name
PYRUVIC-ALDEHYDE
DI-2-ETHYLHEXYL-MALEATE
HEXACHLORODISILOXANE
SODIUM-PHENATE
DIPHENYL-CARBONATE
CAS Number
78-98-8
142-16-5
14986-21-1
139-02-6
102-09-0
Name
3-MERCAPTOPROPYL-TRIETHOXYSILANE
ERGOTAMINE-TARTRATE-DIHYDRATE
P-CHLOROBENZOTRIFLUORIDE
TRIETHYL-ESTER-PHOSPHOROUS-ACID
CAS Number
14814-09-6
1-01-4
98-56-6
122-52-1
• Added NIST components
Alias
C9H22O3SSI
C37H44N5O13
C7H4CLF3
C6H15O3P
25
© 2015 Aspen Technology, Inc. All rights reserved
SQL Security Improvements
(Applies to Server Deployment)
• New features introduced in APED (server deployment):
– “Server Roles”: Manage permissions on a SQL server.
– “Database Roles”: Manage permissions in databases
• Previous versions did not support “Database Roles”
– Provides a public login: “apeduser2”
– Requires “sysadmin” as its only “Server Role”.
Why?
Requested by customers
with strong security
requirements
– Can perform any activity on the SQL server:
– Create and delete database.
– Easy to use, but poses significant risk to security:
– Unauthorized user may delete databases or destroy other important information.
– May be against a company security policy for using SQL server.
26
© 2015 Aspen Technology, Inc. All rights reserved
SQL Security Improvements
(Applies to Server Deployment)
• “Server Roles” reduce risk of security:
Supporting “Server Roles” in APED will allow a non-sysadmin “Server Role” assigned to a login when it
is created or later modified.
• “Database Roles” enable easy access (readonly) to databases:
Supporting “Database Roles” in APED will allow a database to be accessible by a login with a nonsysadmin “Server Role”.
27
© 2015 Aspen Technology, Inc. All rights reserved
Aspen Properties v9
CAPE-OPEN Thermo Interface 1.1
• Implement both Thermo
Socket and Thermo Server
• CAPE-OPEN Unit
Operations allow selection
of Thermo 1.0 or 1.1
• We plan to retire 1.0 at
some point in the future
28
© 2015 Aspen Technology, Inc. All rights reserved
Aspen Properties Excel Add-In
29
© 2014 Aspen Technology, Inc. All rights reserved
Aspen Properties in Excel
Did you know you can use Aspen Properties
models and data inside Excel?
• Most engineers already use Excel for engineering
calculations
• Many users do not know this functionality exists
30
© 2015 Aspen Technology, Inc. All rights reserved
Aspen Properties in Excel
31
Property
Calculation
Example Unit Operation
K-values
VLE, LLE
Distillation, extraction
Enthalpy, Heat capacity Energy balances, heat duties
Heat exchangers, reactors
Entropy
Work and efficiencies
Pumps, compressors
Gibbs Free Energy
Chemical equilibrium, LLE
Reactors, decanters
Molar Volume (density)
Flow rates, residence time
Pipes, reactors
Viscosity
Pressure drop
Heat exchanges
© 2015 Aspen Technology, Inc. All rights reserved
Aspen Properties Excel Add-In
Use Proven Physical Properties Methods and Data in Excel
Direct access property
models and data
Use for sizing, safety,
solvent screening, etc.
Ensure accuracy and
consistency to reduce risk
Use consistent models,
including in-house methods
32
© 2015 Aspen Technology, Inc. All rights reserved
Main Features - Aspen Properties Excel Add-In
• Adds functions to calculate properties or get parameters
– Pure component
– Mixtures
– Phase equilibrium (VLE, VLLE, SLE)
• Perform unit conversions
• Perform flow/fraction conversions
Consistent with Aspen Plus properties
33
© 2015 Aspen Technology, Inc. All rights reserved
Aspen Properties Excel Add-In Improvements
Improvements in V9
• Automatic install - visible in Excel ribbon
• The New Ribbon - improved discoverability of features and on-line help
• Embed Aspen Properties files into Excel - improving portability
• Set Active Version with the Aspen Excel Add-In Manager
34
© 2015 Aspen Technology, Inc. All rights reserved
Workflow
New Ribbon Makes it Easy to Learn and Use
Basic Configuration
35
Set up Functions
© 2015 Aspen Technology, Inc. All rights reserved
Resources
Workflow
New Option to Embed Files Improves Portability
1
1 Click Select Package
2
2
36
© 2015 Aspen Technology, Inc. All rights reserved
Embed the properties
package (.aprbkp file)
inside Excel for easy
portability between users
Workflow
Configure Properties and Units of Measure
2
1
1
2
37
© 2015 Aspen Technology, Inc. All rights reserved
Optionally create or edit
property methods from
within Excel
Select default units of
measure and configure
unit sets
Workflow
Place Labels in Cells – Formulae Reference the Labels
1
1
2
2
Select the type and label
3 Click OK
4
4
3
38
Click target cell in Excel,
then click one of the label
buttons on the ribbon
© 2015 Aspen Technology, Inc. All rights reserved
New label is inserted
Workflow
Create Excel Functions
1
2
1
Select Property
2
Optionally View Help
Calculate
• Pure Component Properties
• Mixture Properties
• Phase Equilibrium
• Unit Conversions
39
© 2015 Aspen Technology, Inc. All rights reserved
Workflow
Create Excel Functions
3
4
3
Click Insert Function
4
Enter arguments for
the property model
5
Click OK
5
40
© 2015 Aspen Technology, Inc. All rights reserved
Workflow
Create Excel Functions
Use relative & absolute
functions just like any other
Excel function
41
© 2015 Aspen Technology, Inc. All rights reserved
Workflow
Create Excel Functions
Use Excel to help end-users
visualize and analyze properties
42
© 2015 Aspen Technology, Inc. All rights reserved
Software Demo
Evaluating a Flammability Limit
43
© 2015 Aspen Technology, Inc. All rights reserved
Demonstration Summary
• Many applications
– Safety
– Sizing
– Solubility
• Consistent
– Proven data & models
– Enables in-house data
• Easy
– No expertise required
44
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2 Full Days | 45+ Sessions | 800+ Attendees
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Innovate
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#OPTIMIZE2017
Upcoming Webinars
Making the most out of Aspen Plus in Excel!
November 16, 2016
Improve Plant Operations in Real-Time with Aspen Plus
January 17, 2017
We need your input on future webinars
46
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Viewer Poll
Which webinar topics
would you be
interested in seeing in
this series?
47
© 2015 Aspen Technology, Inc. All rights reserved
Proposed Poll Multiple Choice Answers (select all that apply)
• Offline or Online Simulation Models for Plant Operations Support
• Aspen Properties for the Advanced User
• Solids Modeling in Aspen Plus
• Building Custom Simulation Models
• Why Use Aspen Plus Equation-Oriented Mode?
• Heat Exchanger or Catalyst Deactivation Performance Monitoring
• Optimize Process Utilities
• Operator Training Tools
• Column Modeling From Conceptual to Detailed Design
48
© 2015 Aspen Technology, Inc. All rights reserved
Q&A
Upcoming – November 16th
Making the most out of Aspen
Plus in Excel!
Chris Inglis
Christopher.Inglis@aspentech.com
David Tremblay
David.Tremblay@aspentech.com
Tami Okano
Tami.Okano@aspentech.com
49
© 2015 Aspen Technology, Inc. All rights reserved
Additional Resources
What’s New Videos - What’s New in aspenONE V9 Page
http://www.aspentech.com/products/v9-release/
Aspen Plus Resource Page: Make Confident Decisions in Your Plant
http://www.aspentech.com/aspen-plus-resource-center.aspx
Example Model - Aspen Properties in Excel: Evaluating a Flammability Limit
http://support.aspentech.com/webteamasp/KB.asp?ID=113175
50
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Thank You
AspenTech is ranked as a top
innovative growth company
Full Access to Aspen Properties from Excel
WHY
THEthe
CUSTOMER
CARE? Add-in in Excel
How DOES
to install
Aspen Properties
• For AES 8.x and before
• Open MS Excel
• Go to Developer ribbon and click on the
Add-Ins icon
– Alternatively, click on Tools/Excel Options
and click on “Add-ins”
• The Add-Ins window will open. Click the
Browse button
52
© 2015 Aspen Technology, Inc. All rights reserved
Full Access to Aspen Properties from Excel
WHY
THEthe
CUSTOMER
CARE? Add-in in Excel
How DOES
to install
Aspen Properties
• Go to the \Engine\xeq directory where
the Aspen Properties calculation engine
was installed (e.g., C:\Program
Files\AspenTech\Aspen Properties
<version>\Engine\xeq), and select the
Aspen Properties.xla file
53
© 2015 Aspen Technology, Inc. All rights reserved
Full Access to Aspen Properties from Excel
WHY
THEthe
CUSTOMER
CARE? Add-in in Excel
How DOES
to install
Aspen Properties
The following may be needed:
• A new menu, Aspen, will appear
under the Add-Ins ribbon. The
Aspen Properties menu appears
under the Aspen menu
• Close all Excel windows and
restart Excel
New in V9:
Excel Add-In
installed by default
54
© 2015 Aspen Technology, Inc. All rights reserved
-
Set add-In as a trusted publisher
-
Enable controls without restriction
-
Enable macros
-
Enable data connections
Full Access to Aspen Properties from Excel
WHY
DOES THE
Set version
withCUSTOMER
the AspenCARE?
Excel Add-In Manager
• Manage Excel Add-Ins provided
by Aspen in one tool
• Select active version
55
© 2015 Aspen Technology, Inc. All rights reserved
Full Access to Aspen Properties from Excel
WHY
DOES
THE CUSTOMER
CARE?
Aspen
Properties
Excel functions:
56
Function
Type
PureComponentConstant
Scalar or Array
VaporPressure
Scalar or Array
PureProperty
MixtureProperty
Scalar or Array
Scalar
AverageMolecularWeight
Scalar
Description
Pure component constant, such as
molecular weight.
Vapor pressure of pure component at a
given temperature.
Pure component properties
Mixture Properties
Average molecular weight for a
mixture
© 2015 Aspen Technology, Inc. All rights reserved
Full Access to Aspen Properties from Excel
WHY
DOES
THE CUSTOMER
CARE?
Aspen
Properties
Excel functions:
FlashType
PVFlash
PHFlash
TPFlash
TVFlash
THFlash
PSFlash
57
Descriptions
Pressure-Vapor fraction vaporliquid flash
Pressure-Enthalpy vaporliquid flash
Temperature-Pressure vaporliquid flash
Temperature-Vapor fraction
vapor-liquid flash
Temperature-Enthalpy vaporliquid flash
Pressure-Entropy vapor-liquid
flash
Required
Specifications
Return Values
P, V
T, H, X, Y, SFRAC
P, H
T, V, X, Y, SFRAC
T,P
V, H, X, Y, SFRAC
T, V
P, H, X, Y, SFRAC
T, H
P, V, X, Y, SFRAC
P, S
T, V, X, Y, SFRAC
© 2015 Aspen Technology, Inc. All rights reserved
Full Access to Aspen Properties from Excel
WHY
DOES
THE CUSTOMER
CARE?
Aspen
Properties
Excel functions:
FlashType
PUFlash
PVFlash3
PHFlash3
TPFlash3
TVFlash3
THFlash3
58
Descriptions
Required
Specifications
Pressure-Internal Energy vaporP, U
liquid flash
Pressure-Vapor fraction vaporP, V
liquid-liquid flash
Pressure-Enthalpy vaporP, H
liquid-liquid flash
Temperature-Pressure vaporT,P
liquid-liquid flash
Temperature-Vapor fraction
T, V
vapor-liquid-liquid flash
Temperature-Enthalpy vaporT, H
liquid-liquid flash
© 2015 Aspen Technology, Inc. All rights reserved
Return Values
T, V, X, Y, SFRAC
T, H, BETA, X:1, X:2, Y,
SFRAC
T, V, BETA, X:1, X:2, Y,
SFRAC
V, H, BETA, X:1, X:2, Y,
SFRAC
P, H, BETA, X:1, X:2, Y,
SFRAC
P, V, BETA, X:1, X:2, Y,
SFRAC
Full Access to Aspen Properties from Excel
WHY
DOES
THE CUSTOMER
CARE?
Aspen
Properties
Excel functions:
59
Function
Type
UnitsConversion
Scalar
MoleFractiontoMassFraction
Array
MassFractiontoMoleFraction
Array
MassFlowtoMoleFraction
Array
Description
Units Conversion, for example, convert
temperature from K to F
Convert a mole fraction composition
for a set of components into mass
fractions.
Convert a mass fraction composition
for a set of components into mole
fractions.
Convert mass flow rates for a set of
components into mole fractions.
© 2015 Aspen Technology, Inc. All rights reserved
Full Access to Aspen Properties from Excel
WHY
THE CUSTOMER
CARE?
PureDOES
Component
Constants:
• molecularWeight
• normalBoilingPoint
• normalFreezingPoint
• criticalTemperature
• criticalPressure
• criticalCompressibilityFactor
• acentricFactor
60
© 2015 Aspen Technology, Inc. All rights reserved
Full Access to Aspen Properties from Excel
WHY
THEFunctions:
CUSTOMER CARE?
PureDOES
Property
• fugacityCoefficient
• volume
• enthalpy
• viscosity
• entropy
• thermalConductivity
• gibbsFreeEnergy
• surfaceTension
• heatCapacity
Be aware that the function
names are case sensitive
61
© 2015 Aspen Technology, Inc. All rights reserved
Full Access to Aspen Properties from Excel
WHY
DOES
THE CUSTOMER
Mixture
Property
Functions:CARE?
• fugacityCoefficient
• viscosity
• enthalpy
• thermalConductivity
• entropy
• surfaceTension
• gibbsFreeEnergy
• heatCapacity
• volume
• activityCoefficient
• diffusionCoefficient
Be aware that the function
names are case sensitive
62
© 2015 Aspen Technology, Inc. All rights reserved
Full Access to Aspen Properties from Excel
WHY
DOES
THE CUSTOMER
Mixture
Property
Functions:CARE?
• fugacityCoefficient
• viscosity
• enthalpy
• thermalConductivity
• entropy
• surfaceTension
• gibbsFreeEnergy
• heatCapacity
• volume
• activityCoefficient
• diffusionCoefficient
Be aware that the function
names are case sensitive
63
© 2015 Aspen Technology, Inc. All rights reserved
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