Molecular design of working fluid mixtures for organic rankine cycles

Athanasios I. Papadopoulos, Mirko Stijepovic, Patrick Linke, Panos Seferlis, Spyros Voutetakis

Research output: Contribution to journalArticle

12 Citations (Scopus)

Abstract

This work presents a Computer-Aided Molecular Design (CAMD) method for the synthesis and selection of binary working fluid mixtures used in Organic Rankine Cycles (ORC). The method consists of two stages, initially seeking optimum mixture performance targets by designing molecules acting as the first component of the binaries. The identified targets are subsequently approached by designing the required matching molecules and selecting the optimum mixture concentration. A multi-objective formulation of the CAMD-optimization problem enables the identification of numerous mixture candidates. A non-linear sensitivity analysis method is employed to address model-related uncertainties in the mixture selection procedure. The proposed approach remains generic and independent of the considered mixture design application.

Original languageEnglish
Pages (from-to)289-294
Number of pages6
JournalComputer Aided Chemical Engineering
Volume32
DOIs
Publication statusPublished - 2013

Fingerprint

Rankine cycle
Fluids
Molecules
Sensitivity analysis

Keywords

  • CAMD
  • Mixture design
  • Multi-objective optimization
  • ORC
  • Sensitivity analysis

ASJC Scopus subject areas

  • Chemical Engineering(all)
  • Computer Science Applications

Cite this

Molecular design of working fluid mixtures for organic rankine cycles. / Papadopoulos, Athanasios I.; Stijepovic, Mirko; Linke, Patrick; Seferlis, Panos; Voutetakis, Spyros.

In: Computer Aided Chemical Engineering, Vol. 32, 2013, p. 289-294.

Research output: Contribution to journalArticle

Papadopoulos, Athanasios I. ; Stijepovic, Mirko ; Linke, Patrick ; Seferlis, Panos ; Voutetakis, Spyros. / Molecular design of working fluid mixtures for organic rankine cycles. In: Computer Aided Chemical Engineering. 2013 ; Vol. 32. pp. 289-294.
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