分批投料模式下加核自缩合乙烯基体系的Monte Carlo模拟  

Monte Carlo Simulation on the Semi-batch Process in the Self-condensing Vinyl Polymerization System in the Presence of Core Initiators

作　　者：王倩倩 尹露萍 顾芳[1] 王海军[1,2] WANG Qianqian;YIN Luping;GU Fang;WANG Haijun(College of Chemistry and Environmental Science,Hebei University,Baoding 071002,China;Chemical Biology Key Laboratory of Hebei Province,Hebei University,Baoding 071002,China)

机构地区：[1]河北大学化学与环境科学学院,保定071002 [2]河北省化学生物学重点实验室,保定071002

出　　处：《高等学校化学学报》2019年第10期2241-2247,共7页Chemical Journal of Chinese Universities

基　　金：国家自然科学基金(批准号:21374028);河北省高层次人才资助项目(批准号:A2016015001);河北省青年拔尖人才项目和河北省普通高校青年拔尖人才计划项目(批准号:BJ2017017)资助~~

摘　　要：通过Monte Carlo模拟方法对加核自缩合乙烯基体系在分批投料模式下的聚合行为进行研究,考察了引发核的加入时间及分批投料方式对超支化高分子的重均分子量及多分散指数的影响.研究结果表明,不同的分批投料方式对超支化高分子的重均分子量和多分散性具有显著的调控作用.通过调整投料方式、投料次数、引发核官能度和转化率等因素,可以得到分子量较高且多分散性较好的超支化高分子.The semi-batch process of the self-condensing vinyl polymerization in the presence of core initiators was investigated by the method of Monte Carlo simulation. An attempt was made to find the influence of different feeding ways on the weight-average molecular weight and polydispersity index of the resultant polymers.Specifically,we presented several semi-batch modes,such as the case that core initiators are fed into the reactor at distinct conversions,and different feeding ways together with their details concerning the added molecules and conversions. Consequently,a significant effect of the semi-batch process on the present system was found,which is expected to be useful in the large-scale production of hyperbranched polymers.

关 键 词：自缩合乙烯基聚合 分批投料 重均分子量 多分散指数 MONTE CARLO模拟 

分 类 号：O631[理学—高分子化学]