简单流体迁移性质分子动力学模拟研究  

MOLECULAR DYNAMICS SIMULATION ON TRANSPORT PROPERTIES OF SOME SINGLE-ATOM FLUIDS

作　　者：高辉[1] 吴江涛[1] 

机构地区：[1]西安交通大学动力工程多相流国家重点实验室,陕西西安710049

出　　处：《工程热物理学报》2008年第9期1445-1448,共4页Journal of Engineering Thermophysics

基　　金：全国优秀博士论文作者专项资金(No.200540);下一代互联网CNGI项目(No.CNGI-04-15-7A)

摘　　要：通过平衡分子动力学方法和Lennard-Jones势能模型,本文对简单流体氖、氩、氪和氙的迁移性质进行了模拟研究,得到了其随温度变化的关系图。并将模拟结果与NIST推荐的数据进行了比较,除氖以及氙高温度区外,得到的黏度和导热系数的相对偏差皆在士15%之内。同时分析了几种影响简单流体迁移性质分子动力学模拟结果的主要因素。Using the equilibrium molecular dynamics simulation and the Lennard-Jones model,the viscosity and thermal conductivity were obtained for some single-atom fluids.These fluids include Neon,Argon,Krypton and Xenon.Comparisons between simulation results and the recommended values by NIST were made.And the results show that the maximum deviation is within±15% except for that of Neon and Xenon in high temperature.Also,major effects to the simulation results were analyzed in detail.

关 键 词：分子动力学模拟 简单气体 迁移性质 

分 类 号：O414.2[理学—理论物理]