LrgpV1, PascalFrancis, Corpus, bibRecord, 000284

Emulsion copolymerization of styrene and butyl acrylate in the presence of a chain transfer agent. Part 1: Modelling and experimentation of batch and fedbatch processes

Identifieur interne : 000284 ( PascalFrancis/Corpus ); précédent : 000283; suivant : 000285

Emulsion copolymerization of styrene and butyl acrylate in the presence of a chain transfer agent. Part 1: Modelling and experimentation of batch and fedbatch processes

Auteurs : B. Benyahia ; M. A. Latifi ; C. Fonteix ; F. Pla ; S. Nacef

Source :

Chemical engineering science [ 0009-2509 ] ; 2010.

RBID : Pascal:10-0094182

Descripteurs français

Pascal (Inist)
- Copolymérisation émulsion, Modélisation, En discontinu, Modèle mathématique, Equation algébrique, Equilibre population, Cinétique, Optimisation, Algorithme génétique, Prédiction, Réacteur, Condition opératoire, Polymérisation.

English descriptors

KwdEn :
- Algebraic equation, Batchwise, Emulsion copolymerization, Genetic algorithm, Kinetics, Mathematical model, Modeling, Operating conditions, Optimization, Polymerization, Population balance, Prediction, Reactor.

Abstract

This paper deals with the development of a mathematical model for emulsion copolymerization of styrene and butyl acrylate carried out in the presence of n-dodecyl mercaptan as chain transfer agent (CTA). The model consisted of a system of differential algebraic equations in which the population balances are based on a new approach that reduces significantly the number of equations involved and the corresponding computational time. Most of the unknown kinetic and thermodynamic parameters of the model were estimated from experimental measurements using a stochastic optimization method based on a genetic algorithm. The results showed a fairly good agreement between model predictions and experiments. The model was then successfully validated through additional experiments carried out in batch and fedbatch reactors and clearly showed that the model was able to predict the time-evolution of overall conversion, amounts of each residual monomer, number and weight average molecular weights of the resulting copolymers and average diameters of the corresponding latex particles for different operating conditions, mainly CTA concentration and reaction temperature. The model was finally used to investigate and confirm the effects of CTA concentration, previously observed by several authors, on the kinetics of this polymerization process and on the main properties of the resulting macromolecules and latex particles.

Notice en format standard (ISO 2709)

Pour connaître la documentation sur le format Inist Standard.

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A02	`01`			`@0 CESCAC`
A03		`1`		`@0 Chem. eng. sci.`
A05				`@2 65`
A06				`@2 2`
A08	`01`	`1`	`ENG`	`@1 Emulsion copolymerization of styrene and butyl acrylate in the presence of a chain transfer agent. Part 1: Modelling and experimentation of batch and fedbatch processes`
A11	`01`	`1`		`@1 BENYAHIA (B.)`
A11	`02`	`1`		`@1 LATIFI (M. A.)`
A11	`03`	`1`		`@1 FONTEIX (C.)`
A11	`04`	`1`		`@1 PLA (F.)`
A11	`05`	`1`		`@1 NACEF (S.)`
A14	`01`			`@1 Laboratoire des Sciences du Génie Chimique, CNRS-ENSIC, 1 rue Grandville, BP 20451 @2 54001 Nancy @3 FRA @Z 1 aut. @Z 2 aut. @Z 3 aut. @Z 4 aut.`
A14	`02`			`@1 Département de Chimie, Université Mohamed Boudiaf @2 M'sila @3 DZA @Z 1 aut.`
A14	`03`			`@1 Département de Génie des Procédés, Université Ferhat Abbas @2 Sétif @3 DZA @Z 5 aut.`
A20				`@1 850-869`
A21				`@1 2010`
A23	`01`			`@0 ENG`
A43	`01`			`@1 INIST @2 7538 @5 354000180884440210`
A44				`@0 0000 @1 © 2010 INIST-CNRS. All rights reserved.`
A45				`@0 3/4 p.`
A47	`01`	`1`		`@0 10-0094182`
A60				`@1 P`
A61				`@0 A`
A64	`01`	`1`		`@0 Chemical engineering science`
A66	`01`			`@0 GBR`
C01	`01`		`ENG`	@0 This paper deals with the development of a mathematical model for emulsion copolymerization of styrene and butyl acrylate carried out in the presence of n-dodecyl mercaptan as chain transfer agent (CTA). The model consisted of a system of differential algebraic equations in which the population balances are based on a new approach that reduces significantly the number of equations involved and the corresponding computational time. Most of the unknown kinetic and thermodynamic parameters of the model were estimated from experimental measurements using a stochastic optimization method based on a genetic algorithm. The results showed a fairly good agreement between model predictions and experiments. The model was then successfully validated through additional experiments carried out in batch and fedbatch reactors and clearly showed that the model was able to predict the time-evolution of overall conversion, amounts of each residual monomer, number and weight average molecular weights of the resulting copolymers and average diameters of the corresponding latex particles for different operating conditions, mainly CTA concentration and reaction temperature. The model was finally used to investigate and confirm the effects of CTA concentration, previously observed by several authors, on the kinetics of this polymerization process and on the main properties of the resulting macromolecules and latex particles.
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C02	`02`	`X`		`@0 001D09D02C`
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C03	`01`	`X`	`ENG`	`@0 Emulsion copolymerization @5 01`
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C03	`02`	`X`	`FRE`	`@0 Modélisation @5 02`
C03	`02`	`X`	`ENG`	`@0 Modeling @5 02`
C03	`02`	`X`	`SPA`	`@0 Modelización @5 02`
C03	`03`	`X`	`FRE`	`@0 En discontinu @5 03`
C03	`03`	`X`	`ENG`	`@0 Batchwise @5 03`
C03	`03`	`X`	`SPA`	`@0 En discontinuo @5 03`
C03	`04`	`X`	`FRE`	`@0 Modèle mathématique @5 04`
C03	`04`	`X`	`ENG`	`@0 Mathematical model @5 04`
C03	`04`	`X`	`SPA`	`@0 Modelo matemático @5 04`
C03	`05`	`X`	`FRE`	`@0 Equation algébrique @5 05`
C03	`05`	`X`	`ENG`	`@0 Algebraic equation @5 05`
C03	`05`	`X`	`SPA`	`@0 Ecuación algebraica @5 05`
C03	`06`	`X`	`FRE`	`@0 Equilibre population @5 06`
C03	`06`	`X`	`ENG`	`@0 Population balance @5 06`
C03	`06`	`X`	`SPA`	`@0 Equilibrio poblacional @5 06`
C03	`07`	`X`	`FRE`	`@0 Cinétique @5 07`
C03	`07`	`X`	`ENG`	`@0 Kinetics @5 07`
C03	`07`	`X`	`SPA`	`@0 Cinética @5 07`
C03	`08`	`X`	`FRE`	`@0 Optimisation @5 08`
C03	`08`	`X`	`ENG`	`@0 Optimization @5 08`
C03	`08`	`X`	`SPA`	`@0 Optimización @5 08`
C03	`09`	`X`	`FRE`	`@0 Algorithme génétique @5 09`
C03	`09`	`X`	`ENG`	`@0 Genetic algorithm @5 09`
C03	`09`	`X`	`SPA`	`@0 Algoritmo genético @5 09`
C03	`10`	`X`	`FRE`	`@0 Prédiction @5 10`
C03	`10`	`X`	`ENG`	`@0 Prediction @5 10`
C03	`10`	`X`	`SPA`	`@0 Predicción @5 10`
C03	`11`	`X`	`FRE`	`@0 Réacteur @5 11`
C03	`11`	`X`	`ENG`	`@0 Reactor @5 11`
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C03	`12`	`X`	`SPA`	`@0 Condición operatoria @5 12`
C03	`13`	`X`	`FRE`	`@0 Polymérisation @5 13`
C03	`13`	`X`	`ENG`	`@0 Polymerization @5 13`
C03	`13`	`X`	`SPA`	`@0 Polimerización @5 13`
N21				`@1 060`
N44	`01`			`@1 OTO`
N82				`@1 OTO`

Format Inist (serveur)

NO :	PASCAL 10-0094182 INIST
ET :	Emulsion copolymerization of styrene and butyl acrylate in the presence of a chain transfer agent. Part 1: Modelling and experimentation of batch and fedbatch processes
AU :	BENYAHIA (B.); LATIFI (M. A.); FONTEIX (C.); PLA (F.); NACEF (S.)
AF :	Laboratoire des Sciences du Génie Chimique, CNRS-ENSIC, 1 rue Grandville, BP 20451/54001 Nancy/France (1 aut., 2 aut., 3 aut., 4 aut.); Département de Chimie, Université Mohamed Boudiaf/M'sila/Algérie (1 aut.); Département de Génie des Procédés, Université Ferhat Abbas/Sétif/Algérie (5 aut.)
DT :	Publication en série; Niveau analytique
SO :	Chemical engineering science; ISSN 0009-2509; Coden CESCAC; Royaume-Uni; Da. 2010; Vol. 65; No. 2; Pp. 850-869; Bibl. 3/4 p.
LA :	Anglais
EA :	This paper deals with the development of a mathematical model for emulsion copolymerization of styrene and butyl acrylate carried out in the presence of n-dodecyl mercaptan as chain transfer agent (CTA). The model consisted of a system of differential algebraic equations in which the population balances are based on a new approach that reduces significantly the number of equations involved and the corresponding computational time. Most of the unknown kinetic and thermodynamic parameters of the model were estimated from experimental measurements using a stochastic optimization method based on a genetic algorithm. The results showed a fairly good agreement between model predictions and experiments. The model was then successfully validated through additional experiments carried out in batch and fedbatch reactors and clearly showed that the model was able to predict the time-evolution of overall conversion, amounts of each residual monomer, number and weight average molecular weights of the resulting copolymers and average diameters of the corresponding latex particles for different operating conditions, mainly CTA concentration and reaction temperature. The model was finally used to investigate and confirm the effects of CTA concentration, previously observed by several authors, on the kinetics of this polymerization process and on the main properties of the resulting macromolecules and latex particles.
CC :	001D07H; 001D09D02C
FD :	Copolymérisation émulsion; Modélisation; En discontinu; Modèle mathématique; Equation algébrique; Equilibre population; Cinétique; Optimisation; Algorithme génétique; Prédiction; Réacteur; Condition opératoire; Polymérisation
ED :	Emulsion copolymerization; Modeling; Batchwise; Mathematical model; Algebraic equation; Population balance; Kinetics; Optimization; Genetic algorithm; Prediction; Reactor; Operating conditions; Polymerization
SD :	Copolimerización emulsión; Modelización; En discontinuo; Modelo matemático; Ecuación algebraica; Equilibrio poblacional; Cinética; Optimización; Algoritmo genético; Predicción; Reactor; Condición operatoria; Polimerización
LO :	INIST-7538.354000180884440210
ID :	10-0094182

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Pascal:10-0094182

Le document en format XML

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<front><div type="abstract" xml:lang="en">This paper deals with the development of a mathematical model for emulsion copolymerization of styrene and butyl acrylate carried out in the presence of n-dodecyl mercaptan as chain transfer agent (CTA). The model consisted of a system of differential algebraic equations in which the population balances are based on a new approach that reduces significantly the number of equations involved and the corresponding computational time. Most of the unknown kinetic and thermodynamic parameters of the model were estimated from experimental measurements using a stochastic optimization method based on a genetic algorithm. The results showed a fairly good agreement between model predictions and experiments. The model was then successfully validated through additional experiments carried out in batch and fedbatch reactors and clearly showed that the model was able to predict the time-evolution of overall conversion, amounts of each residual monomer, number and weight average molecular weights of the resulting copolymers and average diameters of the corresponding latex particles for different operating conditions, mainly CTA concentration and reaction temperature. The model was finally used to investigate and confirm the effects of CTA concentration, previously observed by several authors, on the kinetics of this polymerization process and on the main properties of the resulting macromolecules and latex particles.</div>
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<fC01 i1="01" l="ENG"><s0>This paper deals with the development of a mathematical model for emulsion copolymerization of styrene and butyl acrylate carried out in the presence of n-dodecyl mercaptan as chain transfer agent (CTA). The model consisted of a system of differential algebraic equations in which the population balances are based on a new approach that reduces significantly the number of equations involved and the corresponding computational time. Most of the unknown kinetic and thermodynamic parameters of the model were estimated from experimental measurements using a stochastic optimization method based on a genetic algorithm. The results showed a fairly good agreement between model predictions and experiments. The model was then successfully validated through additional experiments carried out in batch and fedbatch reactors and clearly showed that the model was able to predict the time-evolution of overall conversion, amounts of each residual monomer, number and weight average molecular weights of the resulting copolymers and average diameters of the corresponding latex particles for different operating conditions, mainly CTA concentration and reaction temperature. The model was finally used to investigate and confirm the effects of CTA concentration, previously observed by several authors, on the kinetics of this polymerization process and on the main properties of the resulting macromolecules and latex particles.</s0>
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<fC03 i1="02" i2="X" l="SPA"><s0>Modelización</s0>
<s5>02</s5>
</fC03>
<fC03 i1="03" i2="X" l="FRE"><s0>En discontinu</s0>
<s5>03</s5>
</fC03>
<fC03 i1="03" i2="X" l="ENG"><s0>Batchwise</s0>
<s5>03</s5>
</fC03>
<fC03 i1="03" i2="X" l="SPA"><s0>En discontinuo</s0>
<s5>03</s5>
</fC03>
<fC03 i1="04" i2="X" l="FRE"><s0>Modèle mathématique</s0>
<s5>04</s5>
</fC03>
<fC03 i1="04" i2="X" l="ENG"><s0>Mathematical model</s0>
<s5>04</s5>
</fC03>
<fC03 i1="04" i2="X" l="SPA"><s0>Modelo matemático</s0>
<s5>04</s5>
</fC03>
<fC03 i1="05" i2="X" l="FRE"><s0>Equation algébrique</s0>
<s5>05</s5>
</fC03>
<fC03 i1="05" i2="X" l="ENG"><s0>Algebraic equation</s0>
<s5>05</s5>
</fC03>
<fC03 i1="05" i2="X" l="SPA"><s0>Ecuación algebraica</s0>
<s5>05</s5>
</fC03>
<fC03 i1="06" i2="X" l="FRE"><s0>Equilibre population</s0>
<s5>06</s5>
</fC03>
<fC03 i1="06" i2="X" l="ENG"><s0>Population balance</s0>
<s5>06</s5>
</fC03>
<fC03 i1="06" i2="X" l="SPA"><s0>Equilibrio poblacional</s0>
<s5>06</s5>
</fC03>
<fC03 i1="07" i2="X" l="FRE"><s0>Cinétique</s0>
<s5>07</s5>
</fC03>
<fC03 i1="07" i2="X" l="ENG"><s0>Kinetics</s0>
<s5>07</s5>
</fC03>
<fC03 i1="07" i2="X" l="SPA"><s0>Cinética</s0>
<s5>07</s5>
</fC03>
<fC03 i1="08" i2="X" l="FRE"><s0>Optimisation</s0>
<s5>08</s5>
</fC03>
<fC03 i1="08" i2="X" l="ENG"><s0>Optimization</s0>
<s5>08</s5>
</fC03>
<fC03 i1="08" i2="X" l="SPA"><s0>Optimización</s0>
<s5>08</s5>
</fC03>
<fC03 i1="09" i2="X" l="FRE"><s0>Algorithme génétique</s0>
<s5>09</s5>
</fC03>
<fC03 i1="09" i2="X" l="ENG"><s0>Genetic algorithm</s0>
<s5>09</s5>
</fC03>
<fC03 i1="09" i2="X" l="SPA"><s0>Algoritmo genético</s0>
<s5>09</s5>
</fC03>
<fC03 i1="10" i2="X" l="FRE"><s0>Prédiction</s0>
<s5>10</s5>
</fC03>
<fC03 i1="10" i2="X" l="ENG"><s0>Prediction</s0>
<s5>10</s5>
</fC03>
<fC03 i1="10" i2="X" l="SPA"><s0>Predicción</s0>
<s5>10</s5>
</fC03>
<fC03 i1="11" i2="X" l="FRE"><s0>Réacteur</s0>
<s5>11</s5>
</fC03>
<fC03 i1="11" i2="X" l="ENG"><s0>Reactor</s0>
<s5>11</s5>
</fC03>
<fC03 i1="11" i2="X" l="SPA"><s0>Reactor</s0>
<s5>11</s5>
</fC03>
<fC03 i1="12" i2="X" l="FRE"><s0>Condition opératoire</s0>
<s5>12</s5>
</fC03>
<fC03 i1="12" i2="X" l="ENG"><s0>Operating conditions</s0>
<s5>12</s5>
</fC03>
<fC03 i1="12" i2="X" l="SPA"><s0>Condición operatoria</s0>
<s5>12</s5>
</fC03>
<fC03 i1="13" i2="X" l="FRE"><s0>Polymérisation</s0>
<s5>13</s5>
</fC03>
<fC03 i1="13" i2="X" l="ENG"><s0>Polymerization</s0>
<s5>13</s5>
</fC03>
<fC03 i1="13" i2="X" l="SPA"><s0>Polimerización</s0>
<s5>13</s5>
</fC03>
<fN21><s1>060</s1>
</fN21>
<fN44 i1="01"><s1>OTO</s1>
</fN44>
<fN82><s1>OTO</s1>
</fN82>
</pA>
</standard>
<server><NO>PASCAL 10-0094182 INIST</NO>
<ET>Emulsion copolymerization of styrene and butyl acrylate in the presence of a chain transfer agent. Part 1: Modelling and experimentation of batch and fedbatch processes</ET>
<AU>BENYAHIA (B.); LATIFI (M. A.); FONTEIX (C.); PLA (F.); NACEF (S.)</AU>
<AF>Laboratoire des Sciences du Génie Chimique, CNRS-ENSIC, 1 rue Grandville, BP 20451/54001 Nancy/France (1 aut., 2 aut., 3 aut., 4 aut.); Département de Chimie, Université Mohamed Boudiaf/M'sila/Algérie (1 aut.); Département de Génie des Procédés, Université Ferhat Abbas/Sétif/Algérie (5 aut.)</AF>
<DT>Publication en série; Niveau analytique</DT>
<SO>Chemical engineering science; ISSN 0009-2509; Coden CESCAC; Royaume-Uni; Da. 2010; Vol. 65; No. 2; Pp. 850-869; Bibl. 3/4 p.</SO>
<LA>Anglais</LA>
<EA>This paper deals with the development of a mathematical model for emulsion copolymerization of styrene and butyl acrylate carried out in the presence of n-dodecyl mercaptan as chain transfer agent (CTA). The model consisted of a system of differential algebraic equations in which the population balances are based on a new approach that reduces significantly the number of equations involved and the corresponding computational time. Most of the unknown kinetic and thermodynamic parameters of the model were estimated from experimental measurements using a stochastic optimization method based on a genetic algorithm. The results showed a fairly good agreement between model predictions and experiments. The model was then successfully validated through additional experiments carried out in batch and fedbatch reactors and clearly showed that the model was able to predict the time-evolution of overall conversion, amounts of each residual monomer, number and weight average molecular weights of the resulting copolymers and average diameters of the corresponding latex particles for different operating conditions, mainly CTA concentration and reaction temperature. The model was finally used to investigate and confirm the effects of CTA concentration, previously observed by several authors, on the kinetics of this polymerization process and on the main properties of the resulting macromolecules and latex particles.</EA>
<CC>001D07H; 001D09D02C</CC>
<FD>Copolymérisation émulsion; Modélisation; En discontinu; Modèle mathématique; Equation algébrique; Equilibre population; Cinétique; Optimisation; Algorithme génétique; Prédiction; Réacteur; Condition opératoire; Polymérisation</FD>
<ED>Emulsion copolymerization; Modeling; Batchwise; Mathematical model; Algebraic equation; Population balance; Kinetics; Optimization; Genetic algorithm; Prediction; Reactor; Operating conditions; Polymerization</ED>
<SD>Copolimerización emulsión; Modelización; En discontinuo; Modelo matemático; Ecuación algebraica; Equilibrio poblacional; Cinética; Optimización; Algoritmo genético; Predicción; Reactor; Condición operatoria; Polimerización</SD>
<LO>INIST-7538.354000180884440210</LO>
<ID>10-0094182</ID>
</server>
</inist>
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Emulsion copolymerization of styrene and butyl acrylate in the presence of a chain transfer agent. Part 1: Modelling and experimentation of batch and fedbatch processes

Emulsion copolymerization of styrene and butyl acrylate in the presence of a chain transfer agent. Part 1: Modelling and experimentation of batch and fedbatch processes

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