Prediction of the full molecular weight distribution in RAFT polymerization using probability generating functions

Authors
Fortunatti, Cecilia; Sarmoria, Claudia; Brandolin, Adriana; Asteasuain, Mariano
Publication Year
2014
Language
English
Format
article
Status
Published version
Description
In this work, a model for the RAFT polymerization following the slow fragmentation approach was developed in order to obtain the full molecular weight distribution (MWD) using probability generating functions (pgf). A combination of univariate and bivariate pgf is applied to deal with the univariate chain length distributions of macroradical, dormant and dead polymer chains, and the bivariate distribution of the two arms intermediate adduct. This allows rigorous modeling of the polymerization system without simplifying assumptions. For comparison purposes, the population balances were solved by direct integration of the resulting equations. Our results show that the pgf technique allows obtaining an accurate solution efficiently in terms of computational time. What is more, the model provides a detailed characterization of the polymer that could be of great help for grasp the process fundamentals.
Fil: Fortunatti, Cecilia. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Bahía Blanca. Planta Piloto de Ingeniería Química (i); Argentina
Fil: Sarmoria, Claudia. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Bahía Blanca. Planta Piloto de Ingeniería Química (i); Argentina
Fil: Brandolin, Adriana. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Bahía Blanca. Planta Piloto de Ingeniería Química (i); Argentina
Fil: Asteasuain, Mariano. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Bahía Blanca. Planta Piloto de Ingeniería Química (i); Argentina
Subject
modeling
molecular weight distribution
probability generating function
RAFT polymerization
Ingeniería de Procesos Químicos
Ingeniería Química
INGENIERÍAS Y TECNOLOGÍAS
Access level
Restricted access
License
https://creativecommons.org/licenses/by-nc-nd/2.5/ar/
Repository
CONICET Digital (CONICET)
Institution
Consejo Nacional de Investigaciones Científicas y Técnicas
OAI Identifier
oai:ri.conicet.gov.ar:11336/13515