Simultaneous synthesis and design of novel chemicals and chemical process flowsheets

Patrick Linke, Antonis Kokossis

Research output: Contribution to journalArticle

20 Citations (Scopus)


This work introduces a framework for the simultaneous molecular design and process synthesis. The methodology integrates previous efforts in molecular design with a systematic reaction-separation synthesis scheme. The framework allows promising process design options and solvent candidates to be simultaneously screened with the use of stochastic search techniques. The simultaneous exploitation of the global systems trade-offs can offer major advantages over the conventional sequential approach of addressing the molecular design and the process design problems in isolation. A case study is presented to illustrate the use of the synthesis framework.

Original languageEnglish
Pages (from-to)115-120
Number of pages6
JournalComputer Aided Chemical Engineering
Issue numberC
Publication statusPublished - 2002
Externally publishedYes


ASJC Scopus subject areas

  • Chemical Engineering(all)
  • Computer Science Applications

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