A framework for the design of reacting systems with phase transfer catalysis

Chiara Piccolo, Andrew Shaw, George Hodges, Patrick M. Piccione, John P. O'Connell, Rafiqul Gani

Research output: Contribution to conferenceConference abstract for conferenceResearch

Abstract

A generic modelling framework for phase transition catalyst based reacting systems has been developed and converted into a software tool. The modelling framework accommodates models of different types representing different sub-systems of the PTCbased reactive system; databases of model parameters and carefully collected and checked (for thermodynamic consistency) experimentally measured data. The models, data and software have been tested on various PTC-based reactive systems. Illustrative examples are provided.
Original languageEnglish
Publication date2012
Publication statusPublished - 2012
Event22nd European Symposium on Computer Aided Process Engineering - London, United Kingdom
Duration: 17 Jun 201222 Jun 2012

Conference

Conference22nd European Symposium on Computer Aided Process Engineering
CountryUnited Kingdom
CityLondon
Period17/06/201222/06/2012

Bibliographical note

Poster presentation

Keywords

  • Phase transfer catalysis
  • Modelling
  • Partition coefficient
  • Solubility
  • Design/analysis

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