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短程吸引力 Yukawa 流体的热力学性质:模拟与理论。

Thermodynamic properties of short-range attractive Yukawa fluid: simulation and theory.

机构信息

Programa de Ingeniería Molecular, Instituto Mexicano del Petróleo, Eje Central Lázaro Cárdenas 152, 07730 México DF, Mexico.

出版信息

J Chem Phys. 2010 Mar 21;132(11):114108. doi: 10.1063/1.3357352.

Abstract

Coexistence properties of the hard-core attractive Yukawa potential with inverse-range parameter kappa=9, 10, 12, and 15 are calculated by applying canonical Monte Carlo simulation. As previously shown for longer ranges, we show that also for the ranges considered here the coexistence curves scaled by the critical density and temperature obey the law of corresponding states, and that a linear relationship between the critical density and the reciprocal of the critical temperature holds. The simulation results are compared to the predictions of the self-consistent Ornstein-Zernike approximation, and a good agreement is found for both the critical points and the coexistence curves, although some slight discrepancies are present.

摘要

采用正则蒙特卡罗模拟方法计算了相互作用参数κ=9、10、12 和 15 的硬心吸引 Yukawa 势的共存性质。正如之前对更大范围的情况所示,我们表明,即使对于所考虑的范围,通过临界密度和温度缩放的共存曲线也遵守对应状态定律,并且临界密度与临界温度的倒数之间存在线性关系。模拟结果与自洽的 Ornstein-Zernike 逼近预测进行了比较,在临界点和共存曲线方面都发现了很好的一致性,尽管存在一些细微的差异。

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