高等学校化学学报

高等学校化学学报 ›› 2011, Vol. 32 ›› Issue (2): 395.

• 研究论文 • 上一篇    下一篇

梳型聚合物在固液界面吸附形态的Monte Carlo模拟

韩兆让1,2,左琳1,朱建民2,张淑芬2,张立军1   

  1. 1. 吉林大学化学学院, 长春 130023;
    2. 大连理工大学辽宁奥克博士后流动站, 辽阳 111003
  • 收稿日期:2010-04-06 修回日期:2010-07-01 出版日期:2010-02-10 发布日期:2011-02-23
  • 通讯作者: 韩兆让 E-mail:hanzr@jlu.edu.cn

Monte Carlo Simulation on the Conformation of a PAA/PEO Comb Polymer Adsorbed on the Solid-liquid Interface

HAN Zhao-Rang1,2*, ZUO Lin1, ZHU Jian-Min2,  ZHANG Shu-Fen2, ZHANG Li-Jun1   

  1. 1. College of Chemistry, Jilin University, Changchun 130012, China;
    2. Postdoctoral Mobile Research Station of Liaoning Oxiranchem, Dalian University of Technology, Liaoyang 111003, China
  • Received:2010-04-06 Revised:2010-07-01 Online:2010-02-10 Published:2011-02-23
  • Contact: HAN Zhao-Rang E-mail:hanzr@jlu.edu.cn

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被引次数

13

摘要： 采用Monte Carlo模拟方法对PAA/PEO梳型聚合物在固液界面吸附形态进行了模拟，得到了聚合物在液相中聚集形态以及在固液界面上吸附形态的瞬时构型，同时获得了聚合物的吸附层厚度、均方回转半径和吸附在固液界面的各种链段数等微观信息. 结果证实：随着聚合物的接枝数Np增大，聚合物在液相中的扩散系数逐渐降低、相对粘度逐渐增大；当Np≥6时，羧基阴离子基团置于吸附层最外围，吸附层厚度近似等于PEO侧链长度，聚合物在固体表面形成空间排斥为主、静电排斥为辅的吸附状态；吸附聚合物分子密度过低或过高均不能起到良好的空间屏蔽或阻隔效应；吸附在固体粒子表面聚合物应该具有适宜的吸附-脱附自平衡能力.  

关键词: Monte Carlo模拟, PAA/PEO, 梳型聚合物, 吸附形态, 固液界面

Abstract: The conformation of PAA/PEO comb polymer adsorbed on the solid-liquid interface was investigated using Monte Carlo simulation method. The conformation images in the liquid and on the solid surface of various architecture polymer molecules were obtained. The microstructure information of various architecture polymer molecules, including the mean square radius of gyration, the thickness of adsorbed layer and the number of various segments adsorbed on solid surface were collected. The results showed: The diffusion coefficients in the liquid gradually reduced and the relative viscosity gradually rose with the polymer grafting number (Np) increasing; When Np≥6, the most carboxyl anion groups of comb polymer were placed outside of the adsorbed layer and the thickness of adsorbed layer approximated the length of the PEO side chains, the conformation of a comb polymer molecule on solid surface mainly played a steric barrier effect and secondly electrostatic repulsive; Meanwhile the polymer molecule should have suitable density of steric scattering and could keep self balance of adsorbing-desorbing.

Key words: Monte Carlo simulation, PAA/PEO, Comb polymer, Adsorption conformation, Solid-liquid interface

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