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Artículo

Mathematical modeling of reverse atom transfer radical polymerization in miniemulsion

Zurman, AyelenIcon ; Sarmoria, ClaudiaIcon ; Brandolin, AdrianaIcon ; Asteasuain, MarianoIcon
Fecha de publicación: 01/04/2018
Editorial: Elsevier
Revista: Computational Materials Science
ISSN: 0927-0256
Idioma: Inglés
Tipo de recurso: Artículo publicado
Clasificación temática:
Otras Ingeniería Química

Resumen

In this work, we study the reverse atom transfer radical polymerization in miniemulsion using a water-soluble initiator. This study is motivated by the technological advantages of performing polymerizations in dispersed systems, and the attractive possibilities of controlled radical polymerization techniques to produce tailor made polymers. A mathematical model for this system is presented. The model predicts average molecular properties as well as the full molecular weight distribution (MWD) for different experimental conditions. The method of moments is applied for calculating average properties and the probability generating function (pgf) technique is used to model the MWD. The model is based on the mass balance equations of In this work, we study the reverse atom transfer radical polymerization in miniemulsion using a water-soluble initiator. This study is motivated by the technological advantages of performing polymerizations in dispersed systems, and the attractive possibilities of controlled radical polymerization techniques to produce tailor made polymers. A mathematical model for this system is presented. The model predicts average molecular properties as well as the full molecular weight distribution (MWD) for different experimental conditions. The method of moments is applied for calculating average properties and the probability generating function (pgf) technique is used to model the MWD. The model is based on the mass balance equations of the reacting species. It takes into account the reactions in both the aqueous and organic phases and the mass transfer between them. Predicted conversions, average molecular weights, polydispersity indexes and MWDs for different experimental conditions agree well with experimental data reported in the literature. reacting species. It takes into account the reactions in both the aqueous and organic phases and the mass transfer between them. Predicted conversions, average molecular weights, polydispersity indexes and MWDs for different experimental conditions agree well with experimental data reported in the literature.
Palabras clave: REVERSE ATOM TRANSFER RADICAL POLYMERIZATION , MINIEMULSION , WATER-SOLUBLE INITIATOR , MOLECULAR WEIGHT DISTRIBUTION , MATHEMATICAL MODELING
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info:eu-repo/semantics/openAccess Excepto donde se diga explícitamente, este item se publica bajo la siguiente descripción: Creative Commons Attribution-NonCommercial-ShareAlike 2.5 Unported (CC BY-NC-SA 2.5)
Identificadores
URI: http://hdl.handle.net/11336/90918
URL: http://www.sciencedirect.com/science/article/pii/S0927025617307267
DOI: http://dx.doi.org/10.1016/j.commatsci.2017.12.038
Colecciones
Articulos(PLAPIQUI)
Articulos de PLANTA PILOTO DE INGENIERIA QUIMICA (I)
Citación
Zurman, Ayelen; Sarmoria, Claudia; Brandolin, Adriana; Asteasuain, Mariano; Mathematical modeling of reverse atom transfer radical polymerization in miniemulsion; Elsevier; Computational Materials Science; 145; 1-4-2018; 48-59
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