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Inhomogeneous 2D Lennard-Jones Fluid: Theory and Computer Simulation 被引量:2

Inhomogeneous 2D Lennard-Jones Fluid: Theory and Computer Simulation
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摘要 In this work, thermodynamical properties of a two-dimensional (21)) Lennard-Jones (L J) fluid are studied. Here, to increase the accuracy of our theoretical calculations, the correlation functions in three-particle level (triplet) are applied. To obtain the triplet correlation functions, the Attard's source particle method is extended to 21) systems. In the Attard's procedure, the inhomogeneous Ornstein Zernike (OZ) equation is solved using the Treizenberg Zwanzwig (TZ) expression and a closure relation like the hy2ernetted-chain (HNC) approximation. In the present work, we also have performed the Monte Carlo (MC) simulation. The theoretical results are in fairly agreement with the MC simulation. Also, our results show that the approach proposed here is suitable to study the 2D LJ fluid.
作者 R. Khordad
机构地区 Department of Physics
出处 《Communications in Theoretical Physics》 SCIE CAS CSCD 2012年第11期759-764,共6页 理论物理通讯(英文版)
关键词 Lennard-Jones fluid correlation functions computer simulation three-particle level 计算机模拟 流体理论 二维 非均匀 MC模拟 热力学性质 相关函数 三重相关
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