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非对称两嵌段高分子在选择性壁面识别吸附的Monte Carlo模拟

Houyang CHEN,Lei SUN,Zhencheng YE,Changjun PENG,Honglai LIU

Huagong Xuebao/Journal of Chemical Industry and Engineering (China)（2007）

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Abstract
采用自由空间的Monte Carlo (MC)方法研究了两嵌段非对称高分子在选择性壁面上的吸附与识别.研究表明,非对称嵌段高分子同对称嵌段高分子一样,在选择性壁面的吸附可分为吸附和识别两个过程.对高分子构型研究的结果发现,无论条纹宽度如何变化,高分子在垂直于z方向的均方回转半径总是小于其垂直另两方向的值.在条纹宽度一定的情况下,尾式构型比率随链节B与白色条纹壁面作用能,ΨB-white增加先增加然后趋于不变.在ΨB-white不变的情况下,尾式构型比率则随条纹数的增加而增加.环式构型比率在条纹较宽时会随ΨB-white有一小的下降趋势,而在条纹较窄时下降幅度较大.
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Key words
Asymmetrical copolymer,Monte Carlo simulation,Pattern surface,Recognition
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