物理化学学报 >> 2003, Vol. 19 >> Issue (04): 352-355.doi: 10.3866/PKU.WHXB20030415

研究论文 上一篇    下一篇

微孔中简单流体粘度的分子动力学模拟及关联模型

张晖;张秉坚;梁世强;路映红;胡文暄   

  1. 浙江大学化学系,杭州 310027;南京大学地球科学系,南京 210093
  • 收稿日期:2002-07-23 修回日期:2002-12-03 发布日期:2003-04-15
  • 通讯作者: 张秉坚 E-mail:zbj@mail.hz.zj.cn

Shear Viscosity of Simple Fluids in Porous Media: Molecular Dynamic Simulations and Correlation Models

Zhang Hui;Zhang Bing-Jian;Liang Shi-Qiang;Lu Ying-Hong;Hu Wen-Xuan   

  1. Department of Chemistry, Zhejiang University, Hangzhou 310027;Department of Earth Science, Nanjing University, Nanjing 210093
  • Received:2002-07-23 Revised:2002-12-03 Published:2003-04-15
  • Contact: Zhang Bing-Jian E-mail:zbj@mail.hz.zj.cn

摘要: 用分子动力学模拟计算了微孔介质中流体氩在不同温度、不同密度和不同孔径下的剪切粘度.并根据Chapman-Enskog关于硬球流体传递性质的理论以及Heyes的关于Lennard-Jones流体粘度的表达式,提出了两个描述微孔介质中流体粘度的模型,该模型可以计算微孔中流体氩在不同状态下的粘度值.通过与计算机模拟值的比较,证明这两个微孔流体粘度模型是可用的.

关键词: 微孔, 粘度, 分子动力学, 关联模型

Abstract: Equilibrium molecular dynamics simulations have been used to calculate the shear viscosity of fluid argon both in macrovolume system and in porous media at different temperatures, densities and pore widths. Simultaneously, based on the Chapman-Enskog(CE) theory for the transport properties of hard-sphere fluids and Heyes relationships which extend the CE theory to Lennard-Jones fluids, two correlation models which can describe the viscosity of simple fluid in porous media are proposed as a function of the reduced temperature, density and pore width. The validity of the models is evaluated by comparing the calculated viscosity to the simulation data.

Key words: Micro pores, Viscosity, Molecular dynamics, Correlation models