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New Implementation of CAPE-OPEN Thermo 1.1 in ProSim’s Software #476 – Experiences with CAPE-OPEN Interfaces 2008 AIChE Annual Meeting: Philadelphia, PA.

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Presentation on theme: "New Implementation of CAPE-OPEN Thermo 1.1 in ProSim’s Software #476 – Experiences with CAPE-OPEN Interfaces 2008 AIChE Annual Meeting: Philadelphia, PA."— Presentation transcript:

1 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

2 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

3 CAPE-OPEN Thermo 1.1 in ProSim’s Software – 2008 AIChE annual meeting - Philadelphia – November 16-21, 2008 Simulis ® Thermodynamics ProSimPlus, ProPhyPlus 2… Native 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

4 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 State Soave-Redlich-Kwong (SRK) Peng-Robinson (PR) Predictive Peng Robinson 78 (PPR78) Lee-Kesler-Plöcker (LKP) Benedict-Webb-Rubin modified Starling (BWRS) Nakamura etc… Activity coefficients models NRTL UNIQUAC UNIFACs Wilson etc… Combined approach models (EoS/G E ) MHV2 MHV1 PSRK etc… Specific systems Pure Water (NBS/NRC steam tables - IAPS,1984) Chao-Seader, Grayson-Streed Sour-Water Carboxylic acids Formaldehyde etc… Electrolytes Edwards UNIQUAC electrolyte ULPDHS Amines and acid gases etc…  The various available methods have been selected to cover a wide field of applications: oil & gas, fine chemicals, etc…

5 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

6 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

7 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 A full set of services available

8 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

9 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

10 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

11 CAPE-OPEN Thermo 1.1 in ProSim’s Software – 2008 AIChE annual meeting - Philadelphia – November 16-21, 2008 Microsoft ® Excel MATLAB ® P.M.E. CAPE-OPEN (Aspen Plus, Hysys, ProII…) P.M.E. CAPE-OPEN (Aspen Plus, Hysys, ProII…) …"know-how" Thermodynamic expert ProSimPlus, ProPhy Plus… Calculation kernel « Client » applications Plug CAPE-OPEN Toolbox MATLAB A.P.I. (C++, VB…) Microsoft Excel Add-In Specific library "Socket" CAPE-OPEN "Socket" RefProp Expert Mode VBScript DLL) Simulis ® Thermodynamics Simulis ® Thermodynamics Simple and standardized development framework Integrate know-how (new one or existing one) Standardized integration structure (entry point, user parameters) Validated development framework for integration and exploitation

12 CAPE-OPEN Thermo 1.1 in ProSim’s Software – 2008 AIChE annual meeting - Philadelphia – November 16-21, 2008 Microsoft ® Excel MATLAB ® P.M.E. CAPE-OPEN (Aspen Plus, Hysys, ProII…) P.M.E. CAPE-OPEN (Aspen Plus, Hysys, ProII…) …"know-how" Property Packages (Multiflash, PPDS…) Property Packages (Multiflash, PPDS…) RefProp Thermodynamic expert …"know-how" ProSimPlus, ProPhy Plus… Calculation kernel « Client » applications Plug CAPE-OPEN Toolbox MATLAB A.P.I. (C++, VB…) Microsoft Excel Add-In Specific library "Socket" CAPE-OPEN "Socket" RefProp Expert Mode VBScript DLL) Simulis ® Thermodynamics Simulis ® Thermodynamics

13 CAPE-OPEN Thermo 1.1 in ProSim’s Software – 2008 AIChE annual meeting - Philadelphia – November 16-21, 2008 Microsoft ® Excel MATLAB ® P.M.E. CAPE-OPEN (Aspen Plus, Hysys, ProII…) P.M.E. CAPE-OPEN (Aspen Plus, Hysys, ProII…) …"know-how" Property Packages (Multiflash, PPDS…) Property Packages (Multiflash, PPDS…) RefProp Thermodynamic expert …"know-how" ProSimPlus, ProPhy Plus… Calculation kernel « Client » applications + Export services: PSF (Aspen TASC) PVTSim (OLGA) … Plug CAPE-OPEN Toolbox MATLAB A.P.I. (C++, VB…) Microsoft Excel Add-In Specific library "Socket" CAPE-OPEN "Socket" RefProp Expert Mode VBScript DLL) Simulis ® Thermodynamics Simulis ® Thermodynamics

14 CAPE-OPEN Thermo 1.1 in ProSim’s Software – 2008 AIChE annual meeting - Philadelphia – November 16-21, 2008 Chemical Reactions 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 Chemical Reactions Numerical Tools 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

15 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)

16 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

17 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

18 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 ®

19 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

20 CAPE-OPEN Thermo 1.1 in ProSim’s Software – 2008 AIChE annual meeting - Philadelphia – November 16-21, 2008 ProSimPlus ® Demo 1a - Unit Socket (using Thermo 1.0) CAPE-OPEN Unit Operation 1.0 input material portsoutput material ports other ports (information & energy) Material Objects 1.0 Simulis ® Thermodynamics TP VL flash an C 1 /C 2 mixture an external thermodynamic package: RefProp external CO compliant flash UO: CousCous (COCO)

21 CAPE-OPEN Thermo 1.1 in ProSim’s Software – 2008 AIChE annual meeting - Philadelphia – November 16-21, 2008 ProSimPlus ® Demo 1b - Unit Socket (using Thermo 1.1) CAPE-OPEN Unit Operation 1.0 input material portsoutput material ports other ports (information & energy) Material Objects 1.1 Simulis ® Thermodynamics Same simple example as previous one Thermodynamic CAPE-OPEN standards 1.1

22 CAPE-OPEN Thermo 1.1 in ProSim’s Software – 2008 AIChE annual meeting - Philadelphia – November 16-21, 2008 ProSimPlus ® Demo 2 - Simulis ® Thermodynamics as a bridge CAPE-OPEN Unit Operation 1.0 input material portsoutput material ports other ports (information & energy) Material Objects 1.1 CAPE-OPEN Thermo Property Package Version 1.0 Simulis ® Thermodynamics

23 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)

24 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

25 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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