Monte Carlo Simulation on Layered Polymeric Films  

作　　者：Ru Xia Xiang-song Wu 陈鹏 Jia-sheng Qian Xiao-shuang Feng 

机构地区：[1]Anhui Province Key Laboratory of Environment-friendly Polymer Materials, School of Chemistry and Chemical Engineering, Anhui University [2]Eco-Efficient Product & Process Laboratory (E2P2L) UMI 3464, Research & Innovation Center in Shanghai (RICS), Solvay(China) Co., Ltd.

出　　处：《Chinese Journal of Polymer Science》2014年第5期595-602,共8页高分子科学（英文版）

基　　金：financially supported by the National Natural Science Foundation of China(Nos.20804001,20974001,21174001 and 51273001);the Research Fund for the Doctoral Program of Higher Education of China(20113401110003);the University Natural Science Research Project of Anhui Province(KJ2011z015);"211 Project";"Incubation Fund for Excellent Young Researcher" of Anhui University

摘　　要：Thin films of polymer blends composed of alternating copolymer, diblock copolymer and/or homopolymer are studied using Monte Carlo simulation. A multilayer morphology is observed in the film, that is, the blended polymers assemble into individual domains arranged from interior to the surfaces of the film. The coexisting components residing throughout the neighboring domains in the film make no distinguishable interface between any neighboring domains. By this means, it forms a vertical composition gradient in the polymeric film. Being different from layer-by-layer deposition of polyelectrolyte or hydrogen bonding approach etc., the layered structure in this study is formed by polymer blending in one step. Alternating copolymers are found to be essential components to form vertical composition gradient （layered structure） in thin films.Thin films of polymer blends composed of alternating copolymer, diblock copolymer and/or homopolymer are studied using Monte Carlo simulation. A multilayer morphology is observed in the film, that is, the blended polymers assemble into individual domains arranged from interior to the surfaces of the film. The coexisting components residing throughout the neighboring domains in the film make no distinguishable interface between any neighboring domains. By this means, it forms a vertical composition gradient in the polymeric film. Being different from layer-by-layer deposition of polyelectrolyte or hydrogen bonding approach etc., the layered structure in this study is formed by polymer blending in one step. Alternating copolymers are found to be essential components to form vertical composition gradient （layered structure） in thin films.

关 键 词：Monte Carlo simulation Polymer blends Alternating copolymer Layered structure. 

分 类 号：TQ320.721[化学工程—合成树脂塑料工业]