Detailed Microstructure Investigation of Acrylate/Methacrylate Functional Copolymers by Kinetic Monte Carlo Simulation

被引：35
作者：
Hamzehlou, Shaghayegh [1 ]
Reyes, Yuri [1 ]
Leiza, Jose R. [1 ]
机构：
[1] Univ Basque Country UPV EHU, Joxe Mari Korta Zent, Kimika Zientzien Fak, Kimika Aplikatua Saila,POLYMAT,Inst Polymer Mat, Donostia San Sebastian 20018, Spain
来源：
MACROMOLECULAR REACTION ENGINEERING | 2012年 / 6卷 / 08期
关键词：
acrylates; branching density distribution; copolymer composition distribution; copolymerization; Monte Carlo simulation; FREE-RADICAL POLYMERIZATION; N-BUTYL ACRYLATE; SEMIBATCH EMULSION POLYMERIZATION; PROPAGATION RATE COEFFICIENTS; INTRAMOLECULAR CHAIN TRANSFER; CROSS-LINKING; MINIEMULSION POLYMERIZATION; MOLECULAR-WEIGHT; ALKYL ACRYLATES; BRANCH LENGTH;
D O I：
10.1002/mren.201200016
中图分类号：
TQ [化学工业];
学科分类号：
0817 ;
摘要：
A kinetic Monte Carlo simulation model is developed to study the microstructure of acrylic functional copolymers, taking into account all complexities of acrylic kinetics like backbiting, beta-scission, and propagation to macromonomer. The model is used to study the bulk and solution copolymerization of butyl acrylate/hydroxyethyl methacrylate in batch and semibatch processes. The model is able to reproduce experimental findings, providing new information that might be difficult to obtain (if possible) by deterministic or experimental methods. With the simulation the influence of the polymerization conditions on the branching density and copolymer composition as a function of chain length are discussed.
引用
收藏
页码：319 / 329
页数：11
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