Monte Carlo方法研究苯乙烯/二乙烯苯凝胶化反应  

A STUDY OF GELATION OF STYRENE WITH DIVINYLBENZENE BY MONTE CARLO METHOD

作　　者：梁德海[1] 周哲人 牛爱珍 朱曼 左榘 何炳林 

机构地区：[1]南开大学吸附分离功能高分子材料国家重点实验室化学系,天津300071 [2]南开大学吸附分离功能高分子材料国家重点实验室

出　　处：《离子交换与吸附》2000年第2期113-119,共7页Ion Exchange and Adsorption

摘　　要：在前文基础上，对苯乙烯─二乙烯苯凝胶化反应进行更进一步的 Ｍｏｎｔｅ Ｃａｒｌｏ模拟。由于引入了标识符，用三维模型很好地获得了定量表征凝胶化反应的参数：转化率，交联点，分子链数目，重均分子量Ｍ_ｗ及数均分子量队等的变化规律，得到了与实验基本一致的结果。Based on previous paper, the gelation of styrene with divinylbezene was further simulated by Monte Carlo method. Because of introducing 'symbols for recognition' and with. the aid of three dimension mode, a lot of parameters, which describe the rules of gelation well and quantitatively, were obtained, these parameters are as follows f conversion, cross-linking point, tile number of polymeric chain, weight average molecular weight M. and number average molecular weight M. and so on. Furthermore, the changing regularity of these parameters during relation is well agreement with experimental results.

关 键 词：MonteCarlo方法 苯乙烯 二乙烯苯 凝胶化反应 标识符 伪链数 计算机模拟 

分 类 号：O632.1[理学—高分子化学] O631.5[理学—化学]