Implementation of a Property Database and Thermodynamic Calculations in OpenModelica for Chemical Process Simulation

An attempt has been made to enhance the thermodynamic capability of the general purpose modeling and simulation environment OpenModelica. The property database ChemSep and the thermodynamic algorithms of DWSIM are made available in OpenModelica. The following three approaches, listed in the order of...

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Bibliographic Details
Published in:Industrial & engineering chemistry research 2019-05, Vol.58 (18), p.7551-7560
Main Authors: Jain, Rahul, Nayak, Priyam, A. S, Rahul, Dalve, Pravin, Moudgalya, Kannan M, Naren, P. R, Wagner, Daniel, Fritzson, Peter
Format: Article
Language:English
Subjects:
Aspen Plus
ChemSep
Crowdsourcing
DWSIM
NRTL
OpenModelica
Peng-Robinson
Python-C API
socket programming
UNIFAC
UNIQUAC
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Summary:An attempt has been made to enhance the thermodynamic capability of the general purpose modeling and simulation environment OpenModelica. The property database ChemSep and the thermodynamic algorithms of DWSIM are made available in OpenModelica. The following three approaches, listed in the order of increasing computational efficiency, are attempted in this work: Python-C API, socket programming, and a native port. The most efficient method of native port is adopted to make available NRTL, Peng–Robinson, UNIFAC, and UNIQUAC algorithms in OpenModelica. Through several examples, OpenModelica results are compared with Aspen Plus, indicating a good match in all cases. This work is released as an open source to enhance the collaboration among chemical engineers.
ISSN:0888-5885
1520-5045
1520-5045
DOI:10.1021/acs.iecr.8b05147