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

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

Department of Chemical and Biochemical Engineering

Research output: Chapter in Book/Report/Conference proceeding › Article in proceedings › Research › peer-review

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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 language	English
Title of host publication	Proceedings of the 22nd European Symposium on Computer Aided Process Engineering
Editors	Ian David Lockhart Bogle, Michael Fairweather
Publisher	Elsevier
Publication date	2012
Pages	757-761
Publication status	Published - 2012
Event	22nd European Symposium on Computer Aided Process Engineering - London, United Kingdom Duration: 17 Jun 2012 → 22 Jun 2012

Conference

Conference	22nd European Symposium on Computer Aided Process Engineering
Country/Territory	United Kingdom
City	London
Period	17/06/2012 → 22/06/2012

Series	Computer Aided Chemical Engineering
Volume	30
ISSN	1570-7946

Keywords

Phase transfer catalysis
Modelling
Partition coefficient
Solubility
Design/analysis

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title = "A framework for the design of reacting systems with phase transfer catalysis",

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.",

keywords = "Phase transfer catalysis, Modelling, Partition coefficient, Solubility, Design/analysis",

author = "Chiara Piccolo and Andrew Shaw and George Hodges and Piccione, \{Patrick M.\} and O'Connell, \{John P.\} and Rafiqul Gani",

year = "2012",

language = "English",

series = "Computer Aided Chemical Engineering",

publisher = "Elsevier",

pages = "757--761",

editor = "Bogle, \{Ian David Lockhart\} and Michael Fairweather",

booktitle = "Proceedings of the 22nd European Symposium on Computer Aided Process Engineering",

address = "United Kingdom",

note = "22nd European Symposium on Computer Aided Process Engineering, ESCAPE-22 ; Conference date: 17-06-2012 Through 22-06-2012",

}

Piccolo, C, Shaw, A, Hodges, G, Piccione, PM, O'Connell, JP & Gani, R 2012, A framework for the design of reacting systems with phase transfer catalysis. in IDL Bogle & M Fairweather (eds), Proceedings of the 22nd European Symposium on Computer Aided Process Engineering. Elsevier, Computer Aided Chemical Engineering, vol. 30, pp. 757-761, 22nd European Symposium on Computer Aided Process Engineering, London, United Kingdom, 17/06/2012.

A framework for the design of reacting systems with phase transfer catalysis. / Piccolo, Chiara; Shaw, Andrew; Hodges, George et al.
Proceedings of the 22nd European Symposium on Computer Aided Process Engineering. ed. / Ian David Lockhart Bogle; Michael Fairweather. Elsevier, 2012. p. 757-761 (Computer Aided Chemical Engineering, Vol. 30).

Research output: Chapter in Book/Report/Conference proceeding › Article in proceedings › Research › peer-review

TY - GEN

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AU - Gani, Rafiqul

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AB - 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.

KW - Phase transfer catalysis

KW - Modelling

KW - Partition coefficient

KW - Solubility

KW - Design/analysis

M3 - Article in proceedings

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EP - 761

BT - Proceedings of the 22nd European Symposium on Computer Aided Process Engineering

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PB - Elsevier

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ER -

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

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