Monte Carlo simulation of adsorption of random copolymers at solid-liquid interface
化工学报2006年第5期 页码:1048-1054
作者机构:
华东理工大学化学系,上海,200237
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网络首发:2006-05-25,
纸质出版:2006-05-25
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孙蕾, 彭昌军, 刘洪来, 等. Monte Carlo模拟随机共聚高分子在固/液界面的吸附行为[J]. 化工学报, 2006,(5):1048-1054.
SUN Lei, PENG Changjun, LIU Honglai, et al. Monte Carlo simulation of adsorption of random copolymers at solid-liquid interface[J]. CIESC Journal, 2006, (5): 1048-1054.
孙蕾, 彭昌军, 刘洪来, 等. Monte Carlo模拟随机共聚高分子在固/液界面的吸附行为[J]. 化工学报, 2006,(5):1048-1054.DOI:
SUN Lei, PENG Changjun, LIU Honglai, et al. Monte Carlo simulation of adsorption of random copolymers at solid-liquid interface[J]. CIESC Journal, 2006, (5): 1048-1054.DOI:
The Monte Carlo simulation method was used to simulate the adsorption of random copolymers on the solid/liquid interface.The microstructure information of adsorbed layer
such as adsorbed segment profile and distribution of sizes of various adsorption configurations
and the macrostructure information
such as total segment and segment density profiles
bound fraction
surface coverage
adsorption amount and adsorption layer thickness were obtained.In this work
the effect of attractive segment content f and its energy was investigated.It was shown that there were mostly smaller trains and smaller loops near the interface
but the distribution of loops configuration was wider.Small loops increased rapidly with increasing attractive segment content
and the distribution of train configuration became wider.As f and adsorption energy increased
bound fraction
surface coverage and adsorption amount also increased