Multi-level reactor optimisation in the conceptual design of processes with heterogeneous catalytic reactors

Daniel Montolio-Rodriguez, Patrick Linke, David Linke

Research output: Contribution to journalArticle

1 Citation (Scopus)


The paper proposes a multi-level approach for process synthesis using process superstructure optimisation. More specifically, we address the introduction of detailed reactor models to explore the effects of non-ideal reactor behaviour during the process synthesis activity after the initial screening of design candidates has been completed using ideal reactor models and high-level design trends extracted to narrow the design space to a few promising process structures. The approach focuses on heterogeneously catalysed gas-phase reaction systems due to their prominence in industrial practice and is illustrated with examples in styrene and acetic acid production.

Original languageEnglish
Article number6
JournalChemical Product and Process Modeling
Issue number1
Publication statusPublished - 1 Jan 2012
Externally publishedYes



  • Acetic acid
  • Heterogeneous catalysis
  • Process synthesis
  • Reaction engineering
  • Styrene
  • Superstructure optimisation

ASJC Scopus subject areas

  • Chemical Engineering(all)
  • Modelling and Simulation

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