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Interoperability Experiments on / Simulis Thermodynamics ...CO-LaN Seminar – March, 8 & 9, 2007...

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CO-LaN Seminar – March, 8 & 9, 2007 Interoperability Experiments on MATLAB ® / Simulis ® Thermodynamics / COCO TEA via CAPE-OPEN standard. Application to ternary liquid-vapor equilibrium representations. Pascal Floquet, Xavier Joulia, Alain Vacher CO-LaN Seminar – March, 8 & 9, 2007
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Page 1: Interoperability Experiments on / Simulis Thermodynamics ...CO-LaN Seminar – March, 8 & 9, 2007 Third Part Architecture CO Property Package COCO TEA Simulis® Thermodynamics Matlab®

CO-LaN Seminar – March, 8 & 9, 2007

Interoperability Experiments on MATLAB® / Simulis® Thermodynamics / COCO TEA via CAPE-OPEN standard. Application to ternary liquid-vapor equilibrium representations.

Pascal Floquet, Xavier Joulia, Alain Vacher

CO-LaN Seminar – March, 8 & 9, 2007

Page 2: Interoperability Experiments on / Simulis Thermodynamics ...CO-LaN Seminar – March, 8 & 9, 2007 Third Part Architecture CO Property Package COCO TEA Simulis® Thermodynamics Matlab®

CO-LaN Seminar – March, 8 & 9, 2007

OUTLINE

• 3D LV equilibrium representation• « Third part » architecture Matlab®

/Simulis® Thermodynamics / Coco Tea Demo

• Conclusion and perspectives

Page 3: Interoperability Experiments on / Simulis Thermodynamics ...CO-LaN Seminar – March, 8 & 9, 2007 Third Part Architecture CO Property Package COCO TEA Simulis® Thermodynamics Matlab®

CO-LaN Seminar – March, 8 & 9, 2007

3D LV equilibrium representation• It is a good way to visualize residue

curves map for two-phase three-component mixtures

• Singular points (saddle point, minima, maxima) are easily understanding on 3D graphs or 2D contours

• Matlab® has good graphical tools, but no thermodynamics capabilities

• Thermodynamics equilibria are calculated by CO property package (here COCO TEA) by the way of CO sockets of Simulis® Thermodynamics

Page 4: Interoperability Experiments on / Simulis Thermodynamics ...CO-LaN Seminar – March, 8 & 9, 2007 Third Part Architecture CO Property Package COCO TEA Simulis® Thermodynamics Matlab®

CO-LaN Seminar – March, 8 & 9, 2007

Third Part Architecture

CO Property Package

COCO TEA

Simulis® Thermodynamics

Matlab® Application

0

0.5

1

1.5

00.20.40.60.81

50

55

60

65

70

METHANOLACETONE

Tem

péra

ture

°C

CO Thermo Socket

Page 5: Interoperability Experiments on / Simulis Thermodynamics ...CO-LaN Seminar – March, 8 & 9, 2007 Third Part Architecture CO Property Package COCO TEA Simulis® Thermodynamics Matlab®

CO-LaN Seminar – March, 8 & 9, 2007

First Step : Property Package Creation COCO TEA

Page 6: Interoperability Experiments on / Simulis Thermodynamics ...CO-LaN Seminar – March, 8 & 9, 2007 Third Part Architecture CO Property Package COCO TEA Simulis® Thermodynamics Matlab®

CO-LaN Seminar – March, 8 & 9, 2007

Second Step : Client ApplicationDevelopment + Simulis® Thermo Plug

Page 7: Interoperability Experiments on / Simulis Thermodynamics ...CO-LaN Seminar – March, 8 & 9, 2007 Third Part Architecture CO Property Package COCO TEA Simulis® Thermodynamics Matlab®

CO-LaN Seminar – March, 8 & 9, 2007

Third Step : CAPE-OPEN CO Socket in action

Page 8: Interoperability Experiments on / Simulis Thermodynamics ...CO-LaN Seminar – March, 8 & 9, 2007 Third Part Architecture CO Property Package COCO TEA Simulis® Thermodynamics Matlab®

CO-LaN Seminar – March, 8 & 9, 2007

Simple Example : Methanol-Ethanol-Water mixture Bubble and Dew Points

Page 9: Interoperability Experiments on / Simulis Thermodynamics ...CO-LaN Seminar – March, 8 & 9, 2007 Third Part Architecture CO Property Package COCO TEA Simulis® Thermodynamics Matlab®

CO-LaN Seminar – March, 8 & 9, 2007

Another Example : Acetone-Methanol-Chloroform mixture Bubble Points

Page 10: Interoperability Experiments on / Simulis Thermodynamics ...CO-LaN Seminar – March, 8 & 9, 2007 Third Part Architecture CO Property Package COCO TEA Simulis® Thermodynamics Matlab®

CO-LaN Seminar – March, 8 & 9, 2007

Conclusions and perspectives• Benefits for the user

– The best tool to the best use• MATLAB ® development and graphical tool• Simulis ® Thermodynamics thermodynamic calculation

server• COCO TEA Property Package

– Reduction of development time, even for students– No CO Knowledge required : Simulis Thermo is a

« bridge » between application and CO Property Package


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