Modeling and design of reacting systems with phase transfer catalysis

Chiara Piccolo; George Hodges; Patrick M. Piccione; Rafiqul Gani

doi:10.1016/B978-0-444-53711-9.50054-7

Modeling and design of reacting systems with phase transfer catalysis

Chiara Piccolo
, George Hodges
, Patrick M. Piccione
, Rafiqul Gani

Department of Chemical and Biochemical Engineering

Jealott's Hill International Research Center

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

Abstract

Issues related to the design of biphasic (liquid) catalytic reaction operations are discussed. A chemical system involving the reaction of an organic-phase soluble reactant (A) with an aqueous-phase soluble reactant (B) in the presence of phase transfer catalyst (PTC) is modeled and based on it, some of the design issues related to improved reaction operation are analyzed. Since the solubility of the different forms of the PTC in the organic solvent affects ultimately the catalyst partition coefficients, therefore, the organic solvent plays an important role in the design of PTC-based reacting systems. A model-based strategy for the selection of the best organic solvent/catalyst that improves the reaction operation is highlighted for the reacting system: benzyl chloride (A) and sodium bromide (B) reacting through tetrabutylammonium bromide (PTC).

Original language	English
Title of host publication	21st European Symposium on Computer Aided Process Engineering
Number of pages	2029
Publisher	Elsevier
Publication date	2011
Pages	266-270
ISBN (Print)	978-0-444-53895-6
DOIs	https://doi.org/10.1016/B978-0-444-53711-9.50054-7
Publication status	Published - 2011
Event	21st European Symposium on Computer Aided Process Engineering - Chalkidiki, Greece Duration: 29 May 2011 → 1 Jun 2011 http://www.escape-21.gr/

Conference

Conference	21st European Symposium on Computer Aided Process Engineering
Country/Territory	Greece
City	Chalkidiki
Period	29/05/2011 → 01/06/2011
Internet address	http://www.escape-21.gr/

Series	Computer Aided Chemical Engineering
Number	29
ISSN	1570-7946

Keywords

Phase transfer catalysis
Partition coefficients
Reaction operation
Solvent selection
Modeling

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title = "Modeling and design of reacting systems with phase transfer catalysis",

abstract = "Issues related to the design of biphasic (liquid) catalytic reaction operations are discussed. A chemical system involving the reaction of an organic-phase soluble reactant (A) with an aqueous-phase soluble reactant (B) in the presence of phase transfer catalyst (PTC) is modeled and based on it, some of the design issues related to improved reaction operation are analyzed. Since the solubility of the different forms of the PTC in the organic solvent affects ultimately the catalyst partition coefficients, therefore, the organic solvent plays an important role in the design of PTC-based reacting systems. A model-based strategy for the selection of the best organic solvent/catalyst that improves the reaction operation is highlighted for the reacting system: benzyl chloride (A) and sodium bromide (B) reacting through tetrabutylammonium bromide (PTC).",

keywords = "Phase transfer catalysis, Partition coefficients, Reaction operation, Solvent selection, Modeling",

author = "Chiara Piccolo and George Hodges and Piccione, \{Patrick M.\} and Rafiqul Gani",

year = "2011",

doi = "10.1016/B978-0-444-53711-9.50054-7",

language = "English",

isbn = "978-0-444-53895-6",

series = "Computer Aided Chemical Engineering",

publisher = "Elsevier",

number = "29",

pages = "266--270",

booktitle = "21st European Symposium on Computer Aided Process Engineering",

address = "United Kingdom",

note = "21st European Symposium on Computer Aided Process Engineering, ESCAPE 21 ; Conference date: 29-05-2011 Through 01-06-2011",

url = "http://www.escape-21.gr/",

}

Piccolo, C, Hodges, G, Piccione, PM & Gani, R 2011, Modeling and design of reacting systems with phase transfer catalysis. in 21st European Symposium on Computer Aided Process Engineering. Elsevier, Computer Aided Chemical Engineering, no. 29, pp. 266-270, 21st European Symposium on Computer Aided Process Engineering, Chalkidiki, Greece, 29/05/2011. https://doi.org/10.1016/B978-0-444-53711-9.50054-7

Modeling and design of reacting systems with phase transfer catalysis. / Piccolo, Chiara; Hodges, George; Piccione, Patrick M. et al.
21st European Symposium on Computer Aided Process Engineering. Elsevier, 2011. p. 266-270 (Computer Aided Chemical Engineering; No. 29).

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

TY - GEN

T1 - Modeling and design of reacting systems with phase transfer catalysis

AU - Piccolo, Chiara

AU - Hodges, George

AU - Piccione, Patrick M.

AU - Gani, Rafiqul

PY - 2011

Y1 - 2011

N2 - Issues related to the design of biphasic (liquid) catalytic reaction operations are discussed. A chemical system involving the reaction of an organic-phase soluble reactant (A) with an aqueous-phase soluble reactant (B) in the presence of phase transfer catalyst (PTC) is modeled and based on it, some of the design issues related to improved reaction operation are analyzed. Since the solubility of the different forms of the PTC in the organic solvent affects ultimately the catalyst partition coefficients, therefore, the organic solvent plays an important role in the design of PTC-based reacting systems. A model-based strategy for the selection of the best organic solvent/catalyst that improves the reaction operation is highlighted for the reacting system: benzyl chloride (A) and sodium bromide (B) reacting through tetrabutylammonium bromide (PTC).

AB - Issues related to the design of biphasic (liquid) catalytic reaction operations are discussed. A chemical system involving the reaction of an organic-phase soluble reactant (A) with an aqueous-phase soluble reactant (B) in the presence of phase transfer catalyst (PTC) is modeled and based on it, some of the design issues related to improved reaction operation are analyzed. Since the solubility of the different forms of the PTC in the organic solvent affects ultimately the catalyst partition coefficients, therefore, the organic solvent plays an important role in the design of PTC-based reacting systems. A model-based strategy for the selection of the best organic solvent/catalyst that improves the reaction operation is highlighted for the reacting system: benzyl chloride (A) and sodium bromide (B) reacting through tetrabutylammonium bromide (PTC).

KW - Phase transfer catalysis

KW - Partition coefficients

KW - Reaction operation

KW - Solvent selection

KW - Modeling

U2 - 10.1016/B978-0-444-53711-9.50054-7

DO - 10.1016/B978-0-444-53711-9.50054-7

M3 - Article in proceedings

SN - 978-0-444-53895-6

T3 - Computer Aided Chemical Engineering

SP - 266

EP - 270

BT - 21st European Symposium on Computer Aided Process Engineering

PB - Elsevier

T2 - 21st European Symposium on Computer Aided Process Engineering

Y2 - 29 May 2011 through 1 June 2011

ER -

Modeling and design of reacting systems with phase transfer catalysis

Abstract

Conference

Keywords

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