Simulating acrylate polymerization reactions:: Toward improved mechanistic understanding and reliable parameter estimates

被引:26
作者
Busch, M
Müller, M
机构
[1] Comp Technol GmbH, D-26180 Rastede, Germany
[2] Univ Gottingen, Inst F Phys Chem, D-37077 Gottingen, Germany
关键词
branched; degradation; kinetics (polym.); modeling; radical; polymerization; simulations;
D O I
10.1002/masy.200450231
中图分类号
O63 [高分子化学(高聚物)];
学科分类号
070305 ; 080501 ; 081704 ;
摘要
It is well accepted that free-radical acrylate polymerizations are governed by a complex coupled kinetic mechanism consisting of propagation, termination and inter-molecular transfer to small species such as monomer or modifiers, together with intra- and inter-molecular transfer reactions to polymer. Propagation, P-scission or termination of the transient secondary/tertiary radicals formed following transfer to polymer is possible. This reaction cascade strongly affects the micro-structural characteristics of the polymer and its application properties. Individual parts of this mechanism have been discussed on many occasions. However, a general approach for determining the rate coefficients for the full kinetic scheme has been missing. Such an approach is developed in this communication.
引用
收藏
页码:399 / 418
页数:20
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