MONTE CARLO SIMULATION FOR MICROPHASE SEPARATION OF MOLTEN DIBLOCK COPOLYMER CONFINED BETWEEN TWO PLATE SURFACES

FENG Jie; LIU Honglai; HU Ying

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MONTE CARLO SIMULATION FOR MICROPHASE SEPARATION OF MOLTEN DIBLOCK COPOLYMER CONFINED BETWEEN TWO PLATE SURFACES

更新时间：2025-12-10

- MONTE CARLO SIMULATION FOR MICROPHASE SEPARATION OF MOLTEN DIBLOCK COPOLYMER CONFINED BETWEEN TWO PLATE SURFACES
- CIESC Journal Issue 4, (2002)
- 作者机构：
  
  华东理工大学化学系
- 作者简介：
- 基金信息：
- DOI：
  CLC：
- Online First：25 April 2002，
  
  Published：25 April 2002
- 稿件说明：
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FENG Jie, LIU Honglai, HU Ying. MONTE CARLO SIMULATION FOR MICROPHASE SEPARATION OF MOLTEN DIBLOCK COPOLYMER CONFINED BETWEEN TWO PLATE SURFACES[J]. CIESC Journal, 2002, (4).
DOI：

FENG Jie, LIU Honglai, HU Ying. MONTE CARLO SIMULATION FOR MICROPHASE SEPARATION OF MOLTEN DIBLOCK COPOLYMER CONFINED BETWEEN TWO PLATE SURFACES[J]. CIESC Journal, 2002, (4). DOI：

摘要

采用改进的键长涨落空穴扩散算法对平板狭缝中的对称两嵌段共聚高分子熔体的微相分离形态、密度分布以及结构因子进行了MonteCarlo(MC)模拟 .模拟结果表明 :在不同性质壁面的平板狭缝中对称两嵌段共聚高分子熔体的微相结构都是层状的

但其取向由壁面性质决定

对称中性壁面形成垂直于壁面的层状结构

对称选择性吸引壁面以及非对称的选择性吸引和选择性排斥壁面组合导致平行于壁面的层状结构

而非对称的选择性吸引和中性壁面的组合形成的层状结构

在吸引壁一侧平行于壁面、在中性壁一侧则垂直于壁面 .对结构因子的计算表明对称体系微相结构主要取决于外场的对称性

Abstract

Using the bond-fluctuation-model and vacancy-diffusion-algorithm

the microphase structure

segment profile and structure factor of molten symmetrical AB diblock copolymer confined between two impermeable plate surfaces are simulated by Monte Carlo method based on simple cubic lattice.It is shown that microphase is lamellar and lamellar orientation is determined by the characteristics of plates.The lamella between two neutral plates is perpendicular to plates.That between two symmetrical preferential plates or asymmetrical preferential plates is parallel to plates.If one of plates is attractive and the other is neutral

the microdomain is perpendicular lamellar structure near neutral plate and parallel lamellar structure near attractive plate.The structure factor shows that microphase structure of symmetrical system is mainly decided by the symmetry of external field.

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