基于粒子-场表象理论对纳米粒子/平行聚合物刷的自组装模拟  

Self-assembly Simulation of Nano-particle/parallel Polymer Brush Based on Particle-field Representation Theory

作　　者：肖立勇 纪登辉 XIAO Li-yong;JI Deng-hui(School of Electrical Engineering of Liupanshui Normal University,Liupanshui 553001,China)

机构地区：[1]六盘水师范学院电气工程学院,六盘水553001

出　　处：《科学技术与工程》2018年第23期194-198,共5页Science Technology and Engineering

基　　金：国家自然科学基金(51567017);贵州省联合基金重点项目(黔科合LH字[2014]7449);六盘水师范学院高层次人才科研启动基金(LPSSYKYJJ201404);贵州省教育厅重点项目(黔教合KY字[2015]379号)资助

摘　　要：基于粒子表象-场表象理论,利用蒙特卡洛模拟方法对纳米粒子聚合物刷的相容性以及纳米粒子的空间分布进行自组装模拟。通过模拟发现:(1)当嵌段聚合物A组分相容和B组分不相容时,随着A组分相容性的增大,A组分的相容性大于纳米粒子对B组分的依附性;(2)当嵌段聚合物A组分不相容和B组分相容时,若B组分的相容性比较弱时,则B组分主要是依附在纳米粒子的表面;但随着相容性的增强,B组分的相容性将优于其对纳米粒子的依附性;(3)体系稳定性所对应的纳米粒子间距,受B组分的相容性影响较窄(R_(P-P)≈22),而受A组分的相容性较宽(23<R_(P-P)<34)。Based on the theory of particle and field representations,self-assembly simulation was conducted for the compatibility of the nanoparticle polymer brush and spatial distribution of nanoparticles with the Monte Carlo simulation method.The results show these as follows.①when the polymer A is dissoluble and the polymer B is insoluble,the dissolution of polymer A becomes greater than the adsorption of polymer B with the increment of the dissolution of polymer A;②when the polymer A is insoluble and the polymer B is dissoluble,the polymer B is mainly attached to the surface of the nanoparticles for its poor dissolution,however,with the increment of the dissolution of polymer B,its dissolution will be better than its adsorption;③for the nanoparticle spacing distance for the stability of the system,its value changes in a narrow range(R P-P≈22)when the polymer B is dissoluble,however,its value changes in a wide range(23<R P-P<34)when the polymer A is dissoluble.

关 键 词：场表象 蒙特卡洛 纳米粒子 聚合物刷 

分 类 号：O469[理学—凝聚态物理]