固液界面多分散高分子吸附构型Monte Carlo模拟.pdfVIP

_______________________________________________________________________________ 固液界面多分散高分子吸附构型的Monte Carlo 模拟* 刘梅堂 牟伯中 刘洪来 胡 英 （华东理工大学化学系，上海 200237 ） 摘 要： 在格子模型基础上用Monte Carlo 方法模拟研究了多分散高分子在固液界面的吸附行为，重点考察了平均分 布和正态分布两种不同链长分布形式的高分子在固液界面吸附构型的分布规律。发现高分子不同的链长分布形式， 对高分子吸附构型的性质影响较大。正态分布的高分子体系中高分子的三种吸附构型（tails ，loops 和 trains ）的浓 度和数目比相同条件下平均分布的高分子体系内要低的多。特别是当高分子链节吸附能较低时，两者的差别非常大。 平均分布的高分子体系高分子吸附构型对温度和高分子总链节浓度的变化更加敏感。tails 构型由于受到高分子链节 热运动以及吸附层压缩作用的影响，在高温或高吸附作用能下，其密度分布表现出和其它两种吸附构型完全不同的 形式。温度，高分子链节吸附作用能以及高分子总链节浓度对三种吸附构型的影响和单分散体系趋势一致，但是存 在着定量的差别。 关键词：多分散性，高分子，吸附构型，固液界面， Monte Carlo 模拟 中图分类号：O63/4713 文献标识码： Monte Carlo Simulations for Polymer Conformation of Polydisperse Polymers at S/L Interfaces Liu Meitang Mu Bozhong Liu Honglai Hu Ying (Department of Chemistry, East China University of Science and Technology, Shanghai 200237,China ) Abstract: The adsorption behavior of polydisperse polymers at solid-liquid interfaces is studied by the method of Monte Carlo simulations based on the lattice model, and effects of the polymer chain length in systems of both average and normal distributions on the polymer conformation (tails, trains and loops distribution) are evaluated. Apparent conformation differences are found between these two polydisperse systems especially when the polymer-interface interaction energy is low enough. The concentration of tails, trains and loops in different layer are much lower in normal distribution systems than that in average ones, whereas the change in polymer conformation is more sensitive to temperature and th