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New Implementation of CAPE-OPEN Thermo 1.1 in ProSim’s Software

New Implementation of CAPE-OPEN Thermo 1.1 in ProSim’s Software. Olivier Baudouin , Stéphane Dechelotte, Alain Vacher. #476 – Experiences with CAPE-OPEN Interfaces 2008 AIChE Annual Meeting: Philadelphia, PA . Outline. Simulis ® Thermodynamics Overview ProSimPlus ® Overview

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New Implementation of CAPE-OPEN Thermo 1.1 in ProSim’s Software

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

  2. 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. Simulis® Thermodynamics Simulis® Thermodynamics Software component for computing thermodynamic properties and phase equilibria on pure substances or mixtures in Microsoft®Excel, MATLAB® or any application ProSimPlus, ProPhyPlus 2… Transport properties (Cp, µ, λ, σ…) Compressibility properties (Z, Cp/Cv…) Thermodynamic properties (H, S, U…) Non ideal properties (γ, Φ) Simulis® Thermodynamics Derivatives of the properties wrt temperature, pressure, composition Native library

  4. Combined approach models (EoS/GE) • 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… 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… A wide set of thermodynamic models • The various available methods have been selected to cover a wide field of applications: oil & gas, fine chemicals, etc…

  5. A full set of services available Data regression of pure components experimental properties

  6. A full set of services available Data regression of pure components experimental properties An interactive calculation service

  7. A full set of services available Data regression of pure components experimental properties An interactive calculation service Graphical display of properties on temperature, pressure or composition ranges

  8. A full set of services available 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…)

  9. A full set of services available 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

  10. A full set of services available 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… • Provide user with quite all tools required for thermodynamics analysis

  11. Plug CAPE-OPEN Toolbox MATLAB Microsoft Excel Add-In A.P.I. (C++, VB…) Simulis® Thermodynamics Expert Mode VBScript DLL) Specific library "Socket" CAPE-OPEN "Socket" RefProp Simulis® Thermodynamics ProSimPlus, ProPhy Plus… « Client » applications MATLAB® P.M.E. CAPE-OPEN (Aspen Plus, Hysys, ProII…) Microsoft® Excel …"know-how" Thermodynamic expert 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 Calculation kernel

  12. Plug CAPE-OPEN Toolbox MATLAB Microsoft Excel Add-In A.P.I. (C++, VB…) Simulis® Thermodynamics Expert Mode VBScript DLL) Specific library "Socket" CAPE-OPEN "Socket" RefProp Simulis® Thermodynamics ProSimPlus, ProPhy Plus… « Client » applications MATLAB® P.M.E. CAPE-OPEN (Aspen Plus, Hysys, ProII…) Microsoft® Excel …"know-how" Thermodynamic expert …"know-how" Property Packages (Multiflash, PPDS…) RefProp Calculation kernel

  13. « Client » applications + Export services: PSF (Aspen TASC) PVTSim (OLGA) … ProSimPlus, ProPhy Plus… MATLAB® P.M.E. CAPE-OPEN (Aspen Plus, Hysys, ProII…) Microsoft® Excel …"know-how" Plug CAPE-OPEN Toolbox MATLAB Microsoft Excel Add-In A.P.I. (C++, VB…) Simulis® Thermodynamics Thermodynamic expert …"know-how" Expert Mode VBScript DLL) Specific library Property Packages (Multiflash, PPDS…) "Socket" CAPE-OPEN "Socket" RefProp RefProp Calculation kernel Simulis® Thermodynamics

  14. Graphical User Interface Unit Operation Models Chemical Reactions Simulis® Thermodynamics Numerical Tools Steady State Simulation & Optimization Process engineering software Rigorous mass and energy balance Wide range of industrial steady state processes Instantaneous Equilibrated Kinetic controlled Complex Unit Operation Models Chemical Reactions 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 Plate Fin Heat Exchangers Reactive distillation Rate Based Multistage Separators

  15. Aspen TASC (PSF file) OLGA (PVT file) Steady State Simulation & Optimization

  16. 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. 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. Main milestones: ProSimPlus® • 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

  19. 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. Demo 1a - Unit Socket (using Thermo 1.0) ProSimPlus® Simulis® Thermodynamics TP VL flash an C1/C2 mixture • an external thermodynamic package: RefProp • external CO compliant flash UO: CousCous (COCO) other ports (information & energy) input material ports output material ports CAPE-OPEN Unit Operation 1.0 Material Objects 1.0

  21. Demo 1b - Unit Socket (using Thermo 1.1) ProSimPlus® Simulis® Thermodynamics Same simple example as previous one • Thermodynamic CAPE-OPEN standards 1.1 other ports (information & energy) input material ports output material ports CAPE-OPEN Unit Operation 1.0 Material Objects 1.1

  22. Demo 2 - Simulis® Thermodynamics as a bridge ProSimPlus® Simulis® Thermodynamics CAPE-OPEN Thermo Property Package Version 1.0 other ports (information & energy) input material ports output material ports CAPE-OPEN Unit Operation 1.0 Material Objects 1.1

  23. 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. 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 Olivier Baudouin, Stéphane Dechelotte, Alain Vacher #476 – Experiences with CAPE-OPEN Interfaces 2008 AIChE Annual Meeting: Philadelphia, PA

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