A framework for innovation in process development for heterogeneously catalysed gas-phase reaction systems

Daniel Montolio-Rodriguez, David Linke, Patrick Linke

Research output: Contribution to journalArticle


There is an increasing need for novel technologies to effectively identify highly efficient chemistries and to enable the quick and reliable development of novel, innovative and sustainable high-performance processes to exploit these. This requires the systematic integration and coordination of R&D activities from chemistry through to process engineering. This paper reports on technology developments in the form of process synthesis methods that will be required to enable the integrated synthesis of heterogeneously catalysed gas-phase reacting processes in parallel to kinetic investigations. The methods are based upon process network representations that can process the information generated in the kinetics investigation activities and embed the vast number of conceptual process design options that are possible for a given system whilst taking into account the practical constraints associated with such systems. The networks are searched using robust optimisation technology in the form of Tabu Search to identify the best processing schemes and operating regions for a given chemistry. This information on the optimal design regions can be constantly fed back to the kinetics development team to guide experimental efforts so that the kinetics match the optimal operating regions of the process. The process synthesis technology developments are illustrated with a complex application in the production of acetic acid.

Original languageEnglish
Pages (from-to)841-846
Number of pages6
JournalComputer Aided Chemical Engineering
Issue numberC
Publication statusPublished - 2006
Externally publishedYes



  • acetic acid production
  • decision-support framework
  • heterogeneous catalysis
  • process design

ASJC Scopus subject areas

  • Chemical Engineering(all)
  • Computer Science Applications

Cite this