Monte Carlo Simulations of Polymers in Nanoslits
Monte Carlo Simulations of Polymers in Nanoslits
复制标题
纳米狭缝中聚合物的蒙特卡罗模拟
DOI：
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发表时间：
2004
期刊：
影响因子：
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通讯作者：
M. Vacatello
中科院分区：
文献类型：
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作者：
M. Vacatello
Monte Carlo计算机模拟已经进行了模型聚合物限制在狭缝的厚度可比的横向直径的链。允许狭缝内的聚合物的密度随狭缝厚度变化，使得狭缝的内容物总是与大的本体聚合物储存器平衡。计算结果表明，存在聚合物介导的吸引或排斥的狭缝板之间的相互作用，与实验结果吻合良好的狭缝厚度振荡。
Monte Carlo computer simulations have been performed for model polymers confined in slits of thickness comparable to the transverse diameter of the chains. The density of polymer within the slits is allowed to vary with the slit thickness in such a way that the content of the slits is always in equilibrium with a large reservoir of bulk polymer. The calculations reveal the presence of polymer-mediated attractive or repulsive interactions between the slit plates, oscillating with the slit thickness in good agreement with experimental results.