New Implementation of CAPE-OPEN Thermo 1.1 in ProSim’s Software
New Implementation of CAPE-OPEN Thermo 1.1 in ProSim’s Software
#476 – Experiences with CAPE-OPEN Interfaces
2008 AIChE Annual Meeting: Philadelphia, PA
Olivier Baudouin, Stéphane Dechelotte, Alain Vacher
www.prosim.net
CAPE-OPEN Thermo 1.1 in ProSim’s Software – 2008 AIChE annual meeting - Philadelphia – November 16-21, 2008
Outline
Simulis® Thermodynamics Overview
ProSimPlus® Overview
ProSim’s Software and CAPE-OPEN: Main Milestones
ProSim’s Software and CAPE-OPEN: Demos
Demo 1a: Unit Socket (using Thermo 1.0)
Demo 1b: Unit Socket (using Thermo 1.1)
Demo 2: Simulis® Thermodynamics as a Bridge
Conclusion
www.prosim.net
CAPE-OPEN Thermo 1.1 in ProSim’s Software – 2008 AIChE annual meeting - Philadelphia – November 16-21, 2008
Simulis®
Thermodynamics
ProSimPlus, ProPhyPlus 2…ProSimPlus, ProPhyPlus 2…
Native libraryNative library
Simulis® Thermodynamics
Software component
for computing
thermodynamic
properties and phase
equilibria on pure
substances
or mixtures
in Microsoft® Excel,
MATLAB® or any
application
Transport properties
(Cp, µ, λ, σ…)
Compressibility properties
(Z, Cp/Cv…)
Thermodynamic properties
(H, S, U…)
Non ideal properties
(γ, Φ)
Derivatives of the properties wrt
temperature, pressure, composition
Simulis®
Thermodynamics
www.prosim.net
CAPE-OPEN Thermo 1.1 in ProSim’s Software – 2008 AIChE annual meeting - Philadelphia – November 16-21, 2008
A wide set of thermodynamic models
Equations of StateSoave-Redlich-Kwong (SRK)Peng-Robinson (PR)Predictive Peng Robinson 78 (PPR78)Lee-Kesler-Plöcker (LKP)Benedict-Webb-Rubin modified Starling (BWRS)Nakamuraetc…
Activity coefficients modelsNRTLUNIQUACUNIFACsWilsonetc…
Combined approach models (EoS/GE)MHV2MHV1PSRKetc…
Specific systemsPure Water (NBS/NRC steam tables - IAPS,1984)
Chao-Seader, Grayson-Streed
Sour-WaterCarboxylic acidsFormaldehydeetc…
ElectrolytesEdwardsUNIQUAC electrolyteULPDHSAmines and acid gasesetc…
The various available methods have been selected to cover a wide field of applications: oil & gas, fine chemicals, etc…
www.prosim.net
CAPE-OPEN Thermo 1.1 in ProSim’s Software – 2008 AIChE annual meeting - Philadelphia – November 16-21, 2008
Data regression of pure components experimental properties
A full set of services available
www.prosim.net
CAPE-OPEN Thermo 1.1 in ProSim’s Software – 2008 AIChE annual meeting - Philadelphia – November 16-21, 2008
Data regression of pure components experimental properties
An interactive calculation service
A full set of services available
www.prosim.net
CAPE-OPEN Thermo 1.1 in ProSim’s Software – 2008 AIChE annual meeting - Philadelphia – November 16-21, 2008
Data regression of pure components experimental properties
An interactive calculation service
Graphical display of properties on temperature, pressure or composition ranges
0
10
20
30
40
50
60
70
80
90
100
110
120
130
140
100 200 300 400 500
Pre
ssur
e
Temperature
Phase envelope
Pressure (atm)Critical point
200
300
400
500
600
0 10 20 30 40
Temperature (K)
Molar entropy (cal/mol/K)
TS diagram
A full set of services available
www.prosim.net
CAPE-OPEN Thermo 1.1 in ProSim’s Software – 2008 AIChE annual meeting - Philadelphia – November 16-21, 2008
Data regression of pure components experimental properties
An interactive calculation service
Graphical display of properties on temperature, pressure or composition ranges
Generation and export of property tables (PSF files to HTFS, PVT files to OLGA…)
A full set of services available
www.prosim.net
CAPE-OPEN Thermo 1.1 in ProSim’s Software – 2008 AIChE annual meeting - Philadelphia – November 16-21, 2008
Data regression of pure components experimental properties
An interactive calculation service
Graphical display of properties on temperature, pressure or composition ranges
Generation and export of property tables (PDS files to HTFS, PVT files to OLGA…)
Calculation of petroleum fractions properties
A full set of services available
D 2887
Simulated distillation
Set of components, weight composition
ASTM D86 corrected
Results of ASTM D86 distillation
TBP at 760 mmHg
TBP at 10 mmHg
ASTM D1160 at low pressure
ASTM D1160 at 760 mmHg
ASTM D1160 at 10 mmHg
Properties estimation
Simulation results
www.prosim.net
CAPE-OPEN Thermo 1.1 in ProSim’s Software – 2008 AIChE annual meeting - Philadelphia – November 16-21, 2008
Data regression of pure components experimental properties
An interactive calculation service
Graphical display of properties on temperature, pressure or composition ranges
Generation and export of property tables (PDS files to HTFS, PVT files to OLGA…)
Calculation of petroleum fractions properties
Management of UNIFACs versions
Estimation of pure component properties
Unit conversions management tool
etc…
A full set of services available
Provide user with quite all tools required for thermodynamics analysis
www.prosim.net
CAPE-OPEN Thermo 1.1 in ProSim’s Software – 2008 AIChE annual meeting - Philadelphia – November 16-21, 2008
Microsoft® ExcelMicrosoft® Excel
MATLAB®MATLAB® P.M.E. CAPE-OPEN(Aspen Plus, Hysys, ProII…)
P.M.E. CAPE-OPEN(Aspen Plus, Hysys, ProII…)
…"know-how" …"know-how"
Thermodynamic expertThermodynamic expert
ProSimPlus, ProPhy Plus…ProSimPlus, ProPhy Plus…
Calculation kernel
« Client » applications
PlugCAPE-OPEN
ToolboxMATLAB
A.P.I.(C++, VB…)
MicrosoftExcel
Add-In
Specific library
"Socket"CAPE-OPEN
"Socket"RefProp
Expert Mode VBScript
DLL)
Simulis®
Thermodynamics
Simulis® Thermodynamics
Simple and standardized development frameworkIntegrate know-how (new one or existing one)•Standardized integration structure (entry point, user parameters)•Validated development framework for integration and exploitation
www.prosim.net
CAPE-OPEN Thermo 1.1 in ProSim’s Software – 2008 AIChE annual meeting - Philadelphia – November 16-21, 2008
Microsoft® ExcelMicrosoft® Excel
MATLAB®MATLAB® P.M.E. CAPE-OPEN(Aspen Plus, Hysys, ProII…)
P.M.E. CAPE-OPEN(Aspen Plus, Hysys, ProII…)
…"know-how" …"know-how"
Property Packages(Multiflash, PPDS…)
Property Packages(Multiflash, PPDS…) RefProp
RefProp
Thermodynamic expertThermodynamic expert
…"know-how" …"know-how"
ProSimPlus, ProPhy Plus…ProSimPlus, ProPhy Plus…
Calculation kernel
« Client » applications
PlugCAPE-OPEN
ToolboxMATLAB
A.P.I.(C++, VB…)
MicrosoftExcel
Add-In
Specific library
"Socket"CAPE-OPEN
"Socket"RefProp
Expert Mode VBScript
DLL)
Simulis®
Thermodynamics
Simulis® Thermodynamics
www.prosim.net
CAPE-OPEN Thermo 1.1 in ProSim’s Software – 2008 AIChE annual meeting - Philadelphia – November 16-21, 2008
Microsoft® ExcelMicrosoft® Excel
MATLAB®MATLAB® P.M.E. CAPE-OPEN(Aspen Plus, Hysys, ProII…)
P.M.E. CAPE-OPEN(Aspen Plus, Hysys, ProII…)
…"know-how" …"know-how"
Property Packages(Multiflash, PPDS…)
Property Packages(Multiflash, PPDS…) RefProp
RefProp
Thermodynamic expertThermodynamic expert
…"know-how" …"know-how"
ProSimPlus, ProPhy Plus…ProSimPlus, ProPhy Plus…
Calculation kernel
« Client » applications + Export services:
PSF (Aspen TASC)
PVTSim (OLGA) …
PlugCAPE-OPEN
ToolboxMATLAB
A.P.I.(C++, VB…)
MicrosoftExcel
Add-In
Specific library
"Socket"CAPE-OPEN
"Socket"RefProp
Expert Mode VBScript
DLL)
Simulis® Thermodynamics
Simulis®
Thermodynamics
www.prosim.net
CAPE-OPEN Thermo 1.1 in ProSim’s Software – 2008 AIChE annual meeting - Philadelphia – November 16-21, 2008
ChemicalReactions
Unit Operation
Models
Steady State Simulation & Optimization
Simulis®
Thermodynamics
Process engineering software
Rigorous mass and energy balance
Wide range of industrial steady state processes
Unit Operation
Models
ChemicalReactions
NumericalTools
Plate Fin Heat Exchangers
Reactive distillation
Rate Based Multistage Separators
Instantaneous
Equilibrated
Kinetic controlled
Complex
Highly non ideal mixtures
Numerous recycle loops
Very large flowsheets
Numerical methods adapted to each unit operation
Analytical derivatives widely used
Plug Flow Reactors
Continuous Stirred Tanks Reactors
Distillation columns…
Windows standards
Very intuitive use
Ergonomics so as to propose solutions as simple and intuitive as possible
www.prosim.net
CAPE-OPEN Thermo 1.1 in ProSim’s Software – 2008 AIChE annual meeting - Philadelphia – November 16-21, 2008
Steady State Simulation & Optimization
Aspen TASC (PSF file)
OLGA (PVT file)
ProSim EQUIPMENT DATA SHEET
Date : Rev. Prepared by :
INTERNALS DATA SHEET
1 Vessel number :
2 Service :
3 Column designed with 15 theorical trays.
4 Description of operation :5 Tray location TOP= 2 3 4 BOTTOM = 146 VAPOR TO TRAY7 Temperature °C 177,51 180,45 181,07 211,248 Pressure b abs 15,86 15,89 15,91 16,189 Density kg/m3 27,32 28,56 28,84 45,57
10 Molecular weight g/mole 57,00 59,26 59,69 84,1611 Rate kg/hr 1720,62 1943,21 1989,19 28551,1712 Rate m3/h 62,98 68,04 68,98 626,4813 LIQUID FROM TRAY14 Temperature °C 160,82 177,51 180,45 211,1315 Viscosity CP 0,15 0,14 0,13 0,1116 Density kg/m3 618,33 598,52 594,95 557,0617 Surface tension Dynes/cm 8,57 7,18 6,94 4,6218 Rate kg/hr 1638,38 1860,96 1906,95 59349,5319 Rate m3/hr @ Temp. 2,65 3,11 3,21 106,5420 Foaming tendency21
22 INTERNALS23 Column I.D. inches *24 Packet Height, ft. *25 Internals type & size *26 Surface area m2/m3 (Packing only) *27 Minimum Wetting Rate m3/h/m2 *28 Pressure drop Allow./calc. Bar xxx / *29 Approximate dry bulk density * Packing factor *30 DESIGN CONDITIONS31 Capacity : mini 60% of nominal flow rate maxi 120% of nominal flow rate32 maxi capacity shall be at 80% of flooding point ( * )33 Total pressure drop Allow./ calc. bar : xxx / *34 Design Temperature °C : Design pressure bar : 35
36 INTERNALS37 Demister Type: 38 Distributor Type: * Tray No. 2 Top of bed39 Liquid redistributor Type: *40 Feed device Type: * Tray No. xxx41 Packing support Plate Type: * Tray No. xxx42 Liquid Redistributor Type: *43
44 MATERIALS45 Packing material : xxxxx Corrosion Allowance, mm. : 046 Internals material : xxxxxxx Corrosion Allowance, in. : 047 Packing & internals weight kg : *
48
49 REMARKS / NOTES50 ( * ) indicates data to be provided / confirmed by vendor if necessary
T1
Cyclohexane Plant
www.prosim.net
CAPE-OPEN Thermo 1.1 in ProSim’s Software – 2008 AIChE annual meeting - Philadelphia – November 16-21, 2008
Outline
Simulis® Thermodynamics Overview
ProSimPlus® Overview
ProSim’s Software and CAPE-OPEN: Main Milestones
ProSim’s Software and CAPE-OPEN: Demos
Demo 1a: Unit Socket (using Thermo 1.0)
Demo 1b: Unit Socket (using Thermo 1.1)
Demo 2: Simulis® Thermodynamics as a Bridge
Conclusion
www.prosim.net
CAPE-OPEN Thermo 1.1 in ProSim’s Software – 2008 AIChE annual meeting - Philadelphia – November 16-21, 2008
Main milestones: Simulis® Thermodynamics
March 2005 First commercial release 1.0
Thermodynamic Plug & Socket CAPE-OPEN 1.0
February 2006 Handling of a 2nd liquid phase
Extension of CAPE-OPEN specifications 1.0
March 2008 Release 1.3
Thermodynamic Plug & Socket CAPE-OPEN 1.1
www.prosim.net
CAPE-OPEN Thermo 1.1 in ProSim’s Software – 2008 AIChE annual meeting - Philadelphia – November 16-21, 2008
August 2006 ProSimPlus® 2.x release
Simulis® Thermodynamics integration
Thermodynamic Plug & Socket CAPE-OPEN 1.0
October 2006 Unit Socket CAPE-OPEN 1.0
U.O. compliant with CAPE-OPEN Thermodynamic 1.0
Information Object: a CAPE-OPEN real parameter
April 2008 Unit Socket CAPE-OPEN 1.0
U.O. compliant with CAPE-OPEN Thermodynamic 1.1
Thermodynamic Plug & Socket CAPE-OPEN 1.1
November 2008 ProSimPlus® 3.x release
Information Object: a CAPE-OPEN collection of CAPE-OPEN parameters
Main milestones: ProSimPlus®
www.prosim.net
CAPE-OPEN Thermo 1.1 in ProSim’s Software – 2008 AIChE annual meeting - Philadelphia – November 16-21, 2008
Outline
Simulis® Thermodynamics Overview
ProSimPlus® Overview
ProSim’s Software and CAPE-OPEN: Main Milestones
ProSim’s Software and CAPE-OPEN: Demos
Demo 1a: Unit Socket (using Thermo 1.0)
Demo 1b: Unit Socket (using Thermo 1.1)
Demo 2: Simulis® Thermodynamics as a Bridge
Conclusion
www.prosim.net
CAPE-OPEN Thermo 1.1 in ProSim’s Software – 2008 AIChE annual meeting - Philadelphia – November 16-21, 2008
Pro
Sim
Plu
s
®
Demo 1a - Unit Socket (using Thermo 1.0)
CAPE-OPENUnit Operation 1.0
input material ports output material ports
other ports(information & energy)
Material Objects 1.0
Sim
ulis
®
The
rmod
ynam
ics
TP VL flash an C1/C2 mixture
• an external thermodynamic package: RefProp• external CO compliant flash UO: CousCous (COCO)
www.prosim.net
CAPE-OPEN Thermo 1.1 in ProSim’s Software – 2008 AIChE annual meeting - Philadelphia – November 16-21, 2008
Pro
Sim
Plu
s
®
Demo 1b - Unit Socket (using Thermo 1.1)
CAPE-OPENUnit Operation 1.0
input material ports output material ports
other ports(information & energy)
Material Objects 1.1
Sim
ulis
®
The
rmod
ynam
ics
Same simple example as previous one• Thermodynamic CAPE-OPEN standards 1.1
www.prosim.net
CAPE-OPEN Thermo 1.1 in ProSim’s Software – 2008 AIChE annual meeting - Philadelphia – November 16-21, 2008
Pro
Sim
Plu
s
®
Demo 2 - Simulis® Thermodynamics as a bridge
CAPE-OPENUnit Operation 1.0
input material ports output material ports
other ports(information & energy)
Material Objects 1.1
CAPE-OPENThermo
Property Package Version 1.0
Sim
ulis
®
The
rmod
ynam
ics
www.prosim.net
CAPE-OPEN Thermo 1.1 in ProSim’s Software – 2008 AIChE annual meeting - Philadelphia – November 16-21, 2008
CAPE-OPEN Thermo 1.1: tests performed
Tests have been successfully performed (with help of CO-
LaN) with all the software implementing this new
standard:
COCO COFE (Socket)
COCO TEA (Plug)
VMG Thermo (Plug & Socket)
Multiflash (Plug)
COMSOL (Socket)
www.prosim.net
CAPE-OPEN Thermo 1.1 in ProSim’s Software – 2008 AIChE annual meeting - Philadelphia – November 16-21, 2008
Concluding remarks
Simulis® thermodynamics is a comprehensive tool
full set of property models and services
extended databases and robust flash algorithms
… and a framework to welcome existing thermodynamic models or to develop new ones in view to use them in other applications
…implementing CAPE-OPEN standards 1.0 and 1.1 (plug & socket)
…allowing seamless integration in many codes
All the services available in Simulis® Thermodynamics become available in the embedding application
Any application embedding Simulis® Thermodynamics automatically inherits from its CAPE-OPEN standard compliance
ProSimPlus is CAPE-OPEN compliant 1.0 for unit operation and 1.0 and 1.1 for thermodynamics thanks to Simulis® Thermodynamics integration
New Implementation of CAPE-OPEN Thermo 1.1 in ProSim’s Software
New Implementation of CAPE-OPEN Thermo 1.1 in ProSim’s Software
#476 – Experiences with CAPE-OPEN Interfaces
2008 AIChE Annual Meeting: Philadelphia, PA
Olivier Baudouin, Stéphane Dechelotte, Alain Vacher
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