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Kinetic Modeling of 1,3‐Diene Polymerization Using a Neodymium‐Based Catalytic System: A New Approach for Calculating the Molecular Weight Distribution
Author(s) -
HerreraOrdonez Jorge,
Leon Ramón Diazde,
de SantiagoRodriguez Yair A.
Publication year - 2013
Publication title -
macromolecular symposia
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.257
H-Index - 76
eISSN - 1521-3900
pISSN - 1022-1360
DOI - 10.1002/masy.201200046
Subject(s) - dispersity , molar mass distribution , polymerization , kinetic energy , kinetics , diene , neodymium , thermodynamics , materials science , catalysis , computer science , biological system , polymer , polymer chemistry , chemistry , computational chemistry , organic chemistry , physics , composite material , optics , laser , natural rubber , quantum mechanics , biology
Summary : A new lumping‐based approach for calculating the molecular weight distribution (MWD) in polymerization systems is proposed. In order to illustrate its applicability the proposed methodology is used for modelling the kinetics of a 1,3‐diene polymerization using a binary neodymium‐based catalytic system. The model is capable of reproducing experimental data after fitting for the evolution of molecular weight and pol y dispersity. The results of this preliminary simulation are used as a guide to design kinetics experiments that may lead to improve the kinetic model and to deepen the knowledge of the system under study.