三元自缩合乙烯基聚合体系回转半径的Monte Carol模拟  

A Monte Carlo study on the radius of gyration of hyperbranched polymers formed by the ternary self-condensing vinyl polymerization

作　　者：洪晓钟[1] 顾芳[2] 巴信武[2] 

机构地区：[1]河北大学物理科学与技术学院,河北保定071002 [2]河北大学化学与环境科学学院,河北保定071002

出　　处：《河北大学学报（自然科学版）》2014年第4期381-386,392,共7页Journal of Hebei University(Natural Science Edition)

基　　金：国家自然科学基金资助项目(21274037;1306034);河北省自然科学基金资助项目(B2014201103);河北省高等学校科学技术研究项目(QN20131079)

摘　　要：利用Monte Carlo模拟方法研究了三元自缩合乙烯基聚合反应中超支化高分子的二次回转半径在反应过程中的变化情况.在模拟中,重点考察了2类活性基团的反应活性、引发单体的数量分数、引发核的配比及其官能团数等对超支化高分子二次回转半径的影响.结果表明,这些因素对2类超支化高分子的尺度有着显著影响,因而可以通过调节相应的反应参数对超支化高分子的结构和平均尺度等相关特征予以调控.The second radius of gyration of hyperbranched polymers formed in a ternary self-condensing vinyl polymerization system is studied by the Monte Carlo simulation,in which the unequal reactivity is taken into account.As a result,the roles of the reactivity differences in two types of active groups,the molar ratio of inimers,the molar ratio and functionality of core initiators are mainly discussed.It is found that these factors can give rise to a significant influence on the second radius of gyration of hyperbranched polymers with and without a core initiator.This can provide some useful clues for regulating the dimension of the hyperbranched polymers in the relevant experiments.

关 键 词：自缩合乙烯基聚合 反应活性 回转半径 MONTE CARLO模拟 

分 类 号：O641[理学—物理化学]