Design of copolymer molecular architecture via design of continuous reactor systems for controlled radical polymerization / Amin Zargar in Industrial & engineering chemistry research, Vol. 48 N° 9 (Mai 2009)  

Public ISBD [article]  inIndustrial & engineering chemistry research > Vol. 48 N° 9 (Mai 2009) . - pp. 4245–4253 Titre : Design of copolymer molecular architecture via design of continuous reactor systems for controlled radical polymerization Type de document : texte imprimé Auteurs : Amin Zargar, Auteur ; F. Joseph Schork, Auteur Année de publication : 2009 Article en page(s) : pp. 4245–4253 Note générale : Chemical engineering Langues : Anglais (eng) Mots-clés : Continuous reactor trains Polydispersity Copolymer Résumé : In controlled radical polymerizations, the lifetime of a growing chain is approximately the residence time in the reactor train. Under these conditions, it is possible to use various continuous reactor trains (CSTRs and PFRs in series) to manipulate the molecular architecture. This work illustrates the design, by iterative simulation, of continuous reactor trains to produce highly specific molecular architectures. In addition to determining the typical parameters of polydispersity, molecular weight, and copolymer composition, the simulation produces information about the sequence structure in the copolymer. Prior work has shown the ability to use moment equations to analyze the sequence structure of batch polymerization and the potential to vary batch reactor conditions to produce copolymers with different sequences from the head to the tail of the copolymer. This work extends the technique of sequence distribution analysis through population balances to continuous reactor trains molecular architectures with specific molecular weight, copolymer composition, and sequence distribution. En ligne : http://pubs.acs.org/doi/abs/10.1021/ie801422w [article] Design of copolymer molecular architecture via design of continuous reactor systems for controlled radical polymerization [texte imprimé] / Amin Zargar, Auteur ; F. Joseph Schork, Auteur . - 2009 . - pp. 4245–4253. Chemical engineering Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 48 N° 9 (Mai 2009) . - pp. 4245–4253 Mots-clés : Continuous reactor trains Polydispersity Copolymer Résumé : In controlled radical polymerizations, the lifetime of a growing chain is approximately the residence time in the reactor train. Under these conditions, it is possible to use various continuous reactor trains (CSTRs and PFRs in series) to manipulate the molecular architecture. This work illustrates the design, by iterative simulation, of continuous reactor trains to produce highly specific molecular architectures. In addition to determining the typical parameters of polydispersity, molecular weight, and copolymer composition, the simulation produces information about the sequence structure in the copolymer. Prior work has shown the ability to use moment equations to analyze the sequence structure of batch polymerization and the potential to vary batch reactor conditions to produce copolymers with different sequences from the head to the tail of the copolymer. This work extends the technique of sequence distribution analysis through population balances to continuous reactor trains molecular architectures with specific molecular weight, copolymer composition, and sequence distribution. En ligne : http://pubs.acs.org/doi/abs/10.1021/ie801422w

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Modeling and control of sequence length distribution for controlled radical (RAFT) copolymerization / Yuesheng Ye in Industrial & engineering chemistry research, Vol. 48 N° 24 (Décembre 2009)  

Public ISBD [article]  inIndustrial & engineering chemistry research > Vol. 48 N° 24 (Décembre 2009) . - pp. 10827–10839 Titre : Modeling and control of sequence length distribution for controlled radical (RAFT) copolymerization Type de document : texte imprimé Auteurs : Yuesheng Ye, Auteur ; F. Joseph Schork, Auteur Année de publication : 2010 Article en page(s) : pp. 10827–10839 Note générale : Industrial chemistry Langues : Anglais (eng) Mots-clés : Modeling--Control--Sequence--Length--Distribution--Controlled--Radical--(RAFT)--Copolymerization Résumé : Controlled/living radical polymerization (CRP) allows a high degree of control over polymeric molecular architecture with narrow molecular weight distributions and desired polymer properties. Although the control of copolymer composition for RAFT copolymerization systems in a semibatch reactor has been studied, the control of sequence length receives little attention. In this work, using moment equations, a chain model and a sequence model were developed to describe both chain and sequence properties such as chain and sequence lengths and their distributions, for RAFT copolymerization in semibatch operations. It is seen that a copolymer with constant composition or linear gradient composition can be obtained through an optimized feeding policy. With the sequence model, it was possible to show the sequence length and distributions while controlling constant composition or linear gradient composition. More importantly, it was demonstrated that sequence length distribution can be designed and controlled using the sequence model. The sequence model may be used as a theoretical tool to understand the importance of sequence length and distributions in CRP. ISSN : 0888-5885 En ligne : http://pubs.acs.org/doi/abs/10.1021/ie901032y [article] Modeling and control of sequence length distribution for controlled radical (RAFT) copolymerization [texte imprimé] / Yuesheng Ye, Auteur ; F. Joseph Schork, Auteur . - 2010 . - pp. 10827–10839. Industrial chemistry Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 48 N° 24 (Décembre 2009) . - pp. 10827–10839 Mots-clés : Modeling--Control--Sequence--Length--Distribution--Controlled--Radical--(RAFT)--Copolymerization Résumé : Controlled/living radical polymerization (CRP) allows a high degree of control over polymeric molecular architecture with narrow molecular weight distributions and desired polymer properties. Although the control of copolymer composition for RAFT copolymerization systems in a semibatch reactor has been studied, the control of sequence length receives little attention. In this work, using moment equations, a chain model and a sequence model were developed to describe both chain and sequence properties such as chain and sequence lengths and their distributions, for RAFT copolymerization in semibatch operations. It is seen that a copolymer with constant composition or linear gradient composition can be obtained through an optimized feeding policy. With the sequence model, it was possible to show the sequence length and distributions while controlling constant composition or linear gradient composition. More importantly, it was demonstrated that sequence length distribution can be designed and controlled using the sequence model. The sequence model may be used as a theoretical tool to understand the importance of sequence length and distributions in CRP. ISSN : 0888-5885 En ligne : http://pubs.acs.org/doi/abs/10.1021/ie901032y

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Modeling and control of sequence length distribution for controlled radical (RAFT) copolymerization / Yuesheng Ye in Industrial & engineering chemistry research, Vol. 48 N° 24 (Décembre 2009)  

Public ISBD [article]  inIndustrial & engineering chemistry research > Vol. 48 N° 24 (Décembre 2009) . - pp. 10827–10839 Titre : Modeling and control of sequence length distribution for controlled radical (RAFT) copolymerization Type de document : texte imprimé Auteurs : Yuesheng Ye, Auteur ; F. Joseph Schork, Auteur Année de publication : 2010 Article en page(s) : pp. 10827–10839 Note générale : Chemical engineering Langues : Anglais (eng) Mots-clés : Controlled/living radical polymerization RAFT copolymerization systems Résumé : Controlled/living radical polymerization (CRP) allows a high degree of control over polymeric molecular architecture with narrow molecular weight distributions and desired polymer properties. Although the control of copolymer composition for RAFT copolymerization systems in a semibatch reactor has been studied, the control of sequence length receives little attention. In this work, using moment equations, a chain model and a sequence model were developed to describe both chain and sequence properties such as chain and sequence lengths and their distributions, for RAFT copolymerization in semibatch operations. It is seen that a copolymer with constant composition or linear gradient composition can be obtained through an optimized feeding policy. With the sequence model, it was possible to show the sequence length and distributions while controlling constant composition or linear gradient composition. More importantly, it was demonstrated that sequence length distribution can be designed and controlled using the sequence model. The sequence model may be used as a theoretical tool to understand the importance of sequence length and distributions in CRP. En ligne : http://pubs.acs.org/doi/abs/10.1021/ie901032y [article] Modeling and control of sequence length distribution for controlled radical (RAFT) copolymerization [texte imprimé] / Yuesheng Ye, Auteur ; F. Joseph Schork, Auteur . - 2010 . - pp. 10827–10839. Chemical engineering Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 48 N° 24 (Décembre 2009) . - pp. 10827–10839 Mots-clés : Controlled/living radical polymerization RAFT copolymerization systems Résumé : Controlled/living radical polymerization (CRP) allows a high degree of control over polymeric molecular architecture with narrow molecular weight distributions and desired polymer properties. Although the control of copolymer composition for RAFT copolymerization systems in a semibatch reactor has been studied, the control of sequence length receives little attention. In this work, using moment equations, a chain model and a sequence model were developed to describe both chain and sequence properties such as chain and sequence lengths and their distributions, for RAFT copolymerization in semibatch operations. It is seen that a copolymer with constant composition or linear gradient composition can be obtained through an optimized feeding policy. With the sequence model, it was possible to show the sequence length and distributions while controlling constant composition or linear gradient composition. More importantly, it was demonstrated that sequence length distribution can be designed and controlled using the sequence model. The sequence model may be used as a theoretical tool to understand the importance of sequence length and distributions in CRP. En ligne : http://pubs.acs.org/doi/abs/10.1021/ie901032y

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