Global sensitivity analysis of computer-aided molecular design problem for the development of novel working fluids for power cycles

Jerome Frutiger, Jens Abildskov, Gürkan Sin

Research output: Chapter in Book/Report/Conference proceedingArticle in proceedingsResearchpeer-review

Abstract

This study compares two methods for global sensitivity analysis as a new approach for the identification and ranking of target properties in molecular design problems: A modified Morris Screening technique and Monte Carlo based standard regression. The two methodologies are highlighted in a case study involving the design of a working fluid for an Organic Ranking Cycle (ORC) design for power generation. Morris Screening is found to be favorable over Monte Carlo based standard regression. Monte Carlo based standard regression cannot be applied, because the current model cannot be sufficiently linearized. For Morris Screening techniques the critical temperature, the critical pressure and the acentric factor of the working fluid has been identified as the target properties with the highest sensitivity to the net power output of the cycle.
Original languageEnglish
Title of host publicationProceedings of the 26 European Symposium on Computer Aided Process Engineering - ESCAPE 26
EditorsZdravko Kravanja, Miloš Bogataj
Volume38
PublisherElsevier
Publication date2016
Pages283-288
ISBN (Electronic)978-0-444-63428-3
DOIs
Publication statusPublished - 2016
Event26th European Symposium on Computer-Aided Process Engineering - Grand Hotel Bernardin Congress Centre, Portorož , Slovenia
Duration: 12 Jun 201615 Jun 2016
http://escape26.um.si/

Conference

Conference26th European Symposium on Computer-Aided Process Engineering
LocationGrand Hotel Bernardin Congress Centre
CountrySlovenia
CityPortorož
Period12/06/201615/06/2016
Internet address
SeriesComputer Aided Chemical Engineering
Volume38
ISSN1570-7946

Keywords

  • Molecular design
  • Working fluids
  • Global sensitivity analysis

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