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模拟水/碳氢化合物基复合流体中的范德华相互作用。

Simulating van der Waals interactions in water/hydrocarbon-based complex fluids.

作者信息

Pasichnyk I, Everaers R, Maggs A C

机构信息

Max Planck Institute for the Physics of Complex Systems, Noethnitzer Str 38, Dresden, Germany.

出版信息

J Phys Chem B. 2008 Feb 14;112(6):1761-4. doi: 10.1021/jp077401m. Epub 2008 Jan 18.

Abstract

In systems composed of water and hydrocarbons, Van der Waals interactions are dominated by the nonretarded, classical (Keesom) part of the Lifshitz interaction; the interaction is screened by salt and extends over mesoscopic distances of the order of the size of the (micellar) constituents of complex fluids. We show that these interactions are included intrinsically in a recently introduced local Monte Carlo algorithm for simulating electrostatic interactions between charges in the presence of nonhomogeneous dielectric media.

摘要

在由水和碳氢化合物组成的体系中,范德华相互作用主要由 Lifshitz 相互作用的非延迟、经典(Keesom)部分主导;这种相互作用会被盐屏蔽,并扩展到复杂流体(胶束)成分大小量级的介观距离。我们表明,这些相互作用在最近引入的一种局域蒙特卡罗算法中是内在包含的,该算法用于模拟在非均匀介电介质存在下电荷之间的静电相互作用。

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