碳纳米管对胆固醇团簇结构和动力学性质的影响

Przemysław Raczyński, Aleksander Dawid, Mariusz Sokół, Zygmunt Gburski
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引用次数: 11

摘要

我们对游离胆固醇簇和位于碳纳米管附近的相同簇进行了分子动力学模拟。我们发现胆固醇分子相当均匀地覆盖在单壁扶手椅(10,10)碳纳米管表面,形成分子层。此外,观察到层内胆固醇分子的特征排列(沿着纳米管)。本文介绍并讨论了在纳米管存在和不存在的情况下,胆固醇分子的结构和动力学观察特征的比较。
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The influence of the carbon nanotube on the structural and dynamical properties of cholesterol cluster

We have performed the molecular dynamics simulations for the free cholesterol cluster and the same cluster located near the carbon nanotube. We have found that the cholesterol molecules quite evenly cover the surface of single walled armchair (10, 10) carbon nanotube, forming the molecular layer. Moreover, the characteristic alignment of cholesterol molecules within the layer (along the nanotube) is observed. The comparison of the structural and dynamical observable characterizing cholesterol molecule is presented and discussed, both for the cluster with and without the presence of the nanotube.

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