共聚高分子吸附的Monte Carlo模拟

MONTE CARLO SIMULATION OF ADSORPTION OF DIBLOCK COPOLYMER AT SOLID-LIQUID INTERFACE

用MonteCarlo方法对选择性溶剂中两嵌段共聚高分子在固液界面的吸附进行了模拟 ,获得了吸附等温线以及吸附层厚度、链附着率、表面覆盖率、链节浓度分布等表征吸附层结构的信息 ,同时模拟获得了固液界面区吸附构型大小及分布等表征高分子构型的微观信息 ,考察了吸附性链节A所受的对比排斥能、链组成以及体相浓度等因素对这些参数的影响 .

Monte Carlo simulation method is used to study the adsorption of AB diblock copolymers in a selective solvent at the solid-liquid interface. The adsorption isotherm and the quantities which manifest the microstructure of the adsorption layer, such as thickness of adsorption layer, bound fraction of adsorbed chains, surface coverage, segment concentration profile, etc., are obtained. The adsorption configuration size and distribution which indicate the configuration of adsorbed polymer are also obtained. The effects of repulsive interaction energy between solvent molecule or segment B and segment A, the content of segment A in AB diblock copolymer and bulk concentration on the various adsorption properties are studied.