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首页> 外文期刊>The Journal of Chemical Physics >Vapor-liquid coexistence in fluids of charged hard dumbbells
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Vapor-liquid coexistence in fluids of charged hard dumbbells

机译:带电硬哑铃液体中的汽液共存

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摘要

Vapor-liquid coexistence in fluids of charged hard dumbbells, each made up of two oppositely charged hard spheres with diameters sigma and separation d, has been studied using grand-canonical Monte Carlo simulations. In the limit d/sigma -> 0, and with the temperature scaled accordingly, the system corresponds to dipolar hard spheres. For separations in the range 0.3 < d/sigma <= 1 the coexisting vapor phase contains compact clusters. For separations in the range 0.1 <= d/sigma < 0.3 the coexistence is between a chainlike vapor and a networklike liquid. Finite-size effects preclude the simulation of the coexistence in systems with d/sigma < 0.1, but extrapolations of the results to d/sigma -> 0 yield estimates of the apparent critical parameters for dipolar hard spheres. (C) 2007 American Institute of Physics.
机译:已使用大正则蒙特卡罗模拟研究了带电的硬哑铃液体中的汽液共存,每个液体均由直径为sigma和间距为d的两个带相反电荷的硬球组成。在极限d / sigma-> 0中,并且随着温度的相应缩放,系统对应于偶极硬球。对于0.3 0可以得出偶极硬球表观关键参数的估计值。 (C)2007美国物理研究所。

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