Bulk polymerization of styrene using multifunctional initiators in a batch reactor: A comprehensive mathematical model

Berkenwald, Emilio; Laganá, María Laura; Acuña, Pablo; Morales Balado, Graciela Elizabeth; Estenoz, Diana

artículo de publicación periódica.page.titleprefix
Bulk polymerization of styrene using multifunctional initiators in a batch reactor: A comprehensive mathematical model

dc.contributor.author	Berkenwald, Emilio
dc.contributor.author	Laganá, María Laura
dc.contributor.author	Acuña, Pablo
dc.contributor.author	Morales Balado, Graciela Elizabeth
dc.contributor.author	Estenoz, Diana
dc.date	info:eu-repo/date/embargoEnd/2017-02-28
dc.date.accessioned	2022-04-18T19:36:13Z
dc.date.available	2022-04-18T19:36:13Z
dc.date.issued	2016-02
dc.description.abstract	"A detailed, comprehensive mathematical model for bulk polymerization of styrene using multifunctional initiators - both linear and cyclic - in a batch reactor was developed. The model is based on a kinetic mechanism that considers thermal initiation and chemical initiation by sequential decomposition of labile groups, propagation, transfer to monomer, termination by combination and re-initiation reactions due to undecomposed labile groups. The model predicts the evolution of global reaction variables (e.g, concentration of reagents, products, radical species and labile groups) as well as the evolution of the detailed complete polymer molecular weight distributions, with polymer species characterized by chain length and number of undecomposed labile groups. The mathematical model was adjusted and validated using experimental data for various peroxide-type multifunctional initiators: diethyl ketone triperoxide (DEKTP, cyclic trifunctional), pinacolone diperoxide (PDP, cyclic bifunctional) and 1,1-bis(tert-butylperoxy)cyclohexane (L331, linear bifunctional). The model very adequately predicts polymerization rates and complete molecular weight distributions. The model is used to theoretically evaluate the influence of initiator structure and functionality as well as reaction conditions."	en
dc.identifier.issn	1542-6580
dc.identifier.uri	http://ri.itba.edu.ar/handle/123456789/3790
dc.language.iso	en	en
dc.relation	info:eu-repo/semantics/reference/doi/10.1515/ijcre-2015-0102
dc.relation	info:eu-repo/grantAgreement/ANPCyT/PICT/2011-1254/AR. Ciudad Autónoma de Buenos Aires
dc.rights	info:eu-repo/semantics/embargoedAccess
dc.subject	MODELOS MATEMATICOS	es
dc.subject	POLIMERIZACION	es
dc.subject	POLIESTIRENOS	es
dc.subject	INICIADORES MULTIFUNCIONALES	es
dc.title	Bulk polymerization of styrene using multifunctional initiators in a batch reactor: A comprehensive mathematical model	en
dc.type	Artículos de Publicaciones Periódicas	es
dc.type	info:eu-repo/semantics/acceptedVersion
dspace.entity.type	Artículo de Publicación Periódica
itba.description.filiation	Fil: Berkenwald, Emilio. Instituto Tecnológico de Buenos Aires; Argentina.
itba.description.filiation	Fil: Laganá, María Laura. Instituto Tecnológico de Buenos Aires; Argentina.
itba.description.filiation	Fil: Acuña, Pablo. Centro de Investigación en Química Aplicada; México.
itba.description.filiation	Fil: Morales Balado, Graciela Elizabeth. Centro de Investigación en Química Aplicada; México.
itba.description.filiation	Fil: Estenoz, Diana. Instituto Tecnológico de Buenos Aires; Argentina.
itba.description.filiation	Fil: Estenoz, Diana. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina.
itba.description.filiation	Fil: Estenoz, Diana. Universidad Nacional del Litoral; Argentina.