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 PROCESSES

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 ,显示出不同溶剂中的化学凝胶化过程不属于同一普遍类。

Effects of the 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 chemieal gelation processes in different solvents are nonuniversal.