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Compartmentalization in atom transfer radical polymerization (ATRP) in dispersed systems

机译：分散体系中原子转移自由基聚合（ATRP）的分区

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Compartmentalization in atom transfer radical : polymerization (ATRP) in dispersed systems at low conversion (< 10%) has been investigated by means of a modified Smith-Ewart equation focusing on the system n-butyl acrylate/CuBr/4,4-dinonyl-2,2-dipyridyl at 110 degrees C. Compartmentalization of both propagating radicals and deactivator was accounted for in the simulations. As the particle diameter (d) decreases below 70 nm, the polymerization rate (R-p) at 10% conversion increases relative to the corresponding bulk system, goes through a maximum at 60 nm, and thereafter decreases dramatically as d decreases further. This behavior is caused by the separate effects of compartmentalization (segregation and confined space effects) on bimolecular termination and deactivation. The very low RP for small particles (d < 30 nm) is due to the pseudo first-order deactivation rate coefficient being proportional to d(-3).
机译：通过改进的Smith-Ewart方程，重点研究了丙烯酸正丁酯/ CuBr / 4,4-二壬基-丙烯酸酯体系，研究了原子转移自由基的分区：低转化率（<10％）下分散体系中的聚合反应（ATRP）。 110℃下的2，2-二吡啶基。在模拟中考虑了传播自由基和减活剂的区室化。当粒径（d）减小到低于70nm时，相对于相应的本体体系，在10％转化率下的聚合速率（R-p）增加，在60nm处达到最大值，然后随着d的进一步减小而急剧减小。此行为是由隔离对双分子终止和失活的分隔作用（分离和有限空间作用）引起的。对于小颗粒（d <30 nm）来说，非常低的RP是由于伪一阶失活速率系数与d（-3）成正比。

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