Toward optimum working fluid mixtures for Organic Rankine Cycles using molecular design and sensitivity analysis

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

Research output: Contribution to journalArticle

89 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 multiobjective formulation of the CAMD-optimization problem enables the identification of numerous mixture candidates, evaluated using an ORC process model in the course of molecular mixture design. A nonlinear 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. Mixtures of high performance are identified simultaneously with their sensitivity characteristics regardless of the employed property prediction method.

Original languageEnglish
Pages (from-to)12116-12133
Number of pages18
JournalIndustrial and Engineering Chemistry Research
Volume52
Issue number34
DOIs
Publication statusPublished - 28 Aug 2013

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Rankine cycle
Sensitivity analysis
Fluids
Molecules

ASJC Scopus subject areas

  • Chemical Engineering(all)
  • Chemistry(all)
  • Industrial and Manufacturing Engineering

Cite this

Toward optimum working fluid mixtures for Organic Rankine Cycles using molecular design and sensitivity analysis. / Papadopoulos, Athanasios I.; Stijepovic, Mirko; Linke, Patrick; Seferlis, Panos; Voutetakis, Spyros.

In: Industrial and Engineering Chemistry Research, Vol. 52, No. 34, 28.08.2013, p. 12116-12133.

Research output: Contribution to journalArticle

Papadopoulos, Athanasios I. ; Stijepovic, Mirko ; Linke, Patrick ; Seferlis, Panos ; Voutetakis, Spyros. / Toward optimum working fluid mixtures for Organic Rankine Cycles using molecular design and sensitivity analysis. In: Industrial and Engineering Chemistry Research. 2013 ; Vol. 52, No. 34. pp. 12116-12133.
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