Qin Xing, Zhang Bingjian, ZhangHui, Hu Wenxuan. Diffusivity of Simple Fluid Mixtures in Porous Media: Molecular Dynamic Simulations and Correlation Models[J]. Chinese Journal of Chemical Physics , 2003, 16(6).
Citation: Qin Xing, Zhang Bingjian, ZhangHui, Hu Wenxuan. Diffusivity of Simple Fluid Mixtures in Porous Media: Molecular Dynamic Simulations and Correlation Models[J]. Chinese Journal of Chemical Physics , 2003, 16(6).

Diffusivity of Simple Fluid Mixtures in Porous Media: Molecular Dynamic Simulations and Correlation Models

Funds:  Project supported by the National Major Fundamental Research and Development Project (G19990433) and the National Natural Science Foundation of China (29977018).
  • Received Date: 2003-04-02
  • It iswell knowthatmolecular dynamics simulations can provide an insight into the microscopic characters and relate them to the microscopic properties, and MD simulations are widely used to study the microscopic flows in porou media. The diffusivity ofLennard-Jones liquid argon, krypton and their binarymixtures in the macrovolumen systems ha been calculated by equilibriummolecular dynamic(EMD) simulations in order to prove this program′s validity. In addition, the diffusivity of liquid mixtures of argon and krypton in slit porous media has been obtained by EMD simulations a differentreduced temperatures, densities and pore widths. The result shows that the diffusivity of fluids will increas sharply in narrow pores. Based on the Chapman-Enskog theory and Heyes equations, two correlation models, which can describe the diffusivity of simple fluid mixtures in porous media, are proposed as functions of the reduced temperature, density and porewidth. The results calculated fromthe models are in good agreementwith the data fromMD simulations.
  • 加载中
  • 加载中
通讯作者: 陈斌, bchen63@163.com
  • 1. 

    沈阳化工大学材料科学与工程学院 沈阳 110142

  1. 本站搜索
  2. 百度学术搜索
  3. 万方数据库搜索
  4. CNKI搜索

Article Metrics

Article views(1187) PDF downloads(2175) Cited by()

Proportional views
Related

Diffusivity of Simple Fluid Mixtures in Porous Media: Molecular Dynamic Simulations and Correlation Models

Funds:  Project supported by the National Major Fundamental Research and Development Project (G19990433) and the National Natural Science Foundation of China (29977018).

Abstract: It iswell knowthatmolecular dynamics simulations can provide an insight into the microscopic characters and relate them to the microscopic properties, and MD simulations are widely used to study the microscopic flows in porou media. The diffusivity ofLennard-Jones liquid argon, krypton and their binarymixtures in the macrovolumen systems ha been calculated by equilibriummolecular dynamic(EMD) simulations in order to prove this program′s validity. In addition, the diffusivity of liquid mixtures of argon and krypton in slit porous media has been obtained by EMD simulations a differentreduced temperatures, densities and pore widths. The result shows that the diffusivity of fluids will increas sharply in narrow pores. Based on the Chapman-Enskog theory and Heyes equations, two correlation models, which can describe the diffusivity of simple fluid mixtures in porous media, are proposed as functions of the reduced temperature, density and porewidth. The results calculated fromthe models are in good agreementwith the data fromMD simulations.

Qin Xing, Zhang Bingjian, ZhangHui, Hu Wenxuan. Diffusivity of Simple Fluid Mixtures in Porous Media: Molecular Dynamic Simulations and Correlation Models[J]. Chinese Journal of Chemical Physics , 2003, 16(6).
Citation: Qin Xing, Zhang Bingjian, ZhangHui, Hu Wenxuan. Diffusivity of Simple Fluid Mixtures in Porous Media: Molecular Dynamic Simulations and Correlation Models[J]. Chinese Journal of Chemical Physics , 2003, 16(6).

Catalog

    /

    DownLoad:  Full-Size Img  PowerPoint
    Return
    Return