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: Contribution to conference › Conference abstract for conference › Research

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
Publication date	2012
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

Bibliographical note

Poster presentation

Keywords

Phase transfer catalysis
Modelling
Partition coefficient
Solubility
Design/analysis

OpenUrl availability

Full text

Cite this

@conference{01c549b553a94158b6d37bc0685be3a8,

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",

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

year = "2012",

language = "English",

}

TY - ABST

T1 - A framework for the design of reacting systems with phase transfer catalysis

AU - Piccolo, Chiara

AU - Shaw, Andrew

AU - Hodges, George

AU - Piccione, Patrick M.

AU - O'Connell, John P.

AU - Gani, Rafiqul

N1 - Poster presentation

PY - 2012

Y1 - 2012

N2 - 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.

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 - Conference abstract for conference

T2 - 22nd European Symposium on Computer Aided Process Engineering

Y2 - 17 June 2012 through 22 June 2012

ER -

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

Abstract

Conference

Bibliographical note

Keywords

OpenUrl availability

Fingerprint

Cite this