Article | Proceedings of the 12th International Modelica Conference, Prague, Czech Republic, May 15-17, 2017 | Integrated Process and Molecular Design with Modelica Using Continuous-Molecular Targeting
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Title:
Integrated Process and Molecular Design with Modelica Using Continuous-Molecular Targeting
Author:
Christoph Udo Gertig: Institute of Technical Thermodynamics, RWTH Aachen University, Aachen, Germany Dominik Tillmanns: Institute of Technical Thermodynamics, RWTH Aachen University, Aachen, Germany Johannes Schilling: Institute of Technical Thermodynamics, RWTH Aachen University, Aachen, Germany Uwe Bau: Institute of Technical Thermodynamics, RWTH Aachen University, Aachen, Germany Franz Lanzerath: Institute of Technical Thermodynamics, RWTH Aachen University, Aachen, Germany Joachim Gross: Institute of Technical Thermodynamics and Thermal Process Engineering, Stuttgart University, Stuttgart, Germany André Bardow: Institute of Technical Thermodynamics, RWTH Aachen University, Aachen, Germany
DOI:
10.3384/ecp17132101
Download:
Full text (pdf)
Year:
2017
Conference:
Proceedings of the 12th International Modelica Conference, Prague, Czech Republic, May 15-17, 2017
Issue:
132
Article no.:
010
Pages:
101-110
No. of pages:
10
Publication type:
Abstract and Fulltext
Published:
2017-07-04
ISBN:
978-91-7685-575-1
Series:
Linköping Electronic Conference Proceedings
ISSN (print):
1650-3686
ISSN (online):
1650-3740
Publisher:
Linköping University Electronic Press, Linköpings universitet


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The performance of many chemical and energy con-version processes depends on the choice of the mole-cules used, e.g. as solvents or working fluids. To cap-ture the complex relations between the properties of the molecules used and the process conditions, the selection of suitable molecules should be directly integrated into process design. Solving the resulting challenging integrated design problem is enabled by the Continous-Molecular Targeting – Computer-Aided Molecular Design (CoMT-CAMD) approach. Here, the combinatorial complexity of the molecular decisions is avoided by relaxing molecular parameters in a physically-based thermodynamic model. So far, implementations of CoMT-CAMD were based on procedural programming languages. This impedes reusability and the investigation of process variants as well as the design of complex processes. In order to overcome these shortcomings, we implement the CoMT-CAMD approach based on object-oriented process modeling and thus enable the integrated process and molecular design with Modelica. The resulting approach is demonstrated for the design of a process and the working fluid for a geothermal Organic Rankine Cycle application.

Keywords: GenOpt optimization integrated fluid and process design computer-aided molecular design PC-SAFT

Proceedings of the 12th International Modelica Conference, Prague, Czech Republic, May 15-17, 2017

Author:
Christoph Udo Gertig, Dominik Tillmanns, Johannes Schilling, Uwe Bau, Franz Lanzerath, Joachim Gross, André Bardow
Title:
Integrated Process and Molecular Design with Modelica Using Continuous-Molecular Targeting
DOI:
http://dx.doi.org/10.3384/ecp17132101
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Proceedings of the 12th International Modelica Conference, Prague, Czech Republic, May 15-17, 2017

Author:
Christoph Udo Gertig, Dominik Tillmanns, Johannes Schilling, Uwe Bau, Franz Lanzerath, Joachim Gross, André Bardow
Title:
Integrated Process and Molecular Design with Modelica Using Continuous-Molecular Targeting
DOI:
http://dx.doi.org/10.3384/ecp17132101
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