凝胶化反应中溶剂效应的计算机模拟  

COMPUTER SIMULATION OF THE SOLVENT EFFECTS IN CHEMICAL GELATION PROCESS

作　　者：周哲人[1] 梁德海[1] 左榘[2] 

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

出　　处：《高分子材料科学与工程》2001年第1期30-34,共5页Polymer Materials Science & Engineering

摘　　要：用改进的晶格键渗流模型研究了溶剂对化学凝胶化过程的影响 ,引进紧邻不饱和单元相互作用参数 Z来描述溶剂的品质。计算机模拟结果表明 ,溶剂品质对凝胶化时间、簇平均尺寸、簇尺寸分布等有明显影响。临界指数 β、γ和 ν,特别是 γ和 ν在不同溶剂中有不同的数值 。Effects of solvent quality on the chemical gelation processes were studied by a improved lattice bond percolation model. A nearest neighbour interaction parameter Z between unsaturated polymeric units were introduced to describe the solvent quality. The results of the computer simulation show that the gelation time, the clusters average size and the clusters size distribution are notably affected by the solvent quality. The critical exponents β , γ and ν especialy γ and ν have different values in different solvents. This suggests that the chemical gelation processes in different solvents are nonuniversal.

关 键 词：化学凝胶化 计算机模型 溶剂效应 渗流模型 临界指数 

分 类 号：O648.17[理学—物理化学]