CALCULATION OF THE MUTUAL DIFFUSION-COEFFICIENT BY EQUILIBRIUM AND NONEQUILIBRIUM MOLECULAR-DYNAMICS

被引:1
|
作者
ERPENBECK, JJ [1 ]
KINCAID, JM [1 ]
机构
[1] NBS,DIV THERMOPHYS,GAITHERSBURG,MD 20899
关键词
D O I
10.1007/BF00500157
中图分类号
O414.1 [热力学];
学科分类号
摘要
引用
收藏
页码:305 / 317
页数:13
相关论文
共 50 条
  • [1] Application of Reverse Nonequilibrium Molecular Dynamics to the Calculation of the Mutual Diffusion Coefficient of Alkane Mixtures
    Chilukoti, Hari Krishna
    Mueller-Plathe, Florian
    Yang, Hua
    JOURNAL OF PHYSICAL CHEMISTRY B, 2018, 122 (39): : 9210 - 9217
  • [2] CALCULATION OF MUTUAL DIFFUSION-COEFFICIENT BY HALL METHOD
    GUBANOVA, LV
    SOKIRYANSKIY, LF
    FIZIKA METALLOV I METALLOVEDENIE, 1977, 43 (02): : 437 - 439
  • [3] DETERMINATION OF THE MUTUAL-DIFFUSION COEFFICIENT OF A BINARY MIXTURE BY NONEQUILIBRIUM MOLECULAR-DYNAMICS VIEWED AS A SEDIMENTATION EXPERIMENT
    RAINERI, FO
    FRIEDMAN, HL
    MOLECULAR PHYSICS, 1990, 70 (02) : 209 - 213
  • [4] NONEQUILIBRIUM MOLECULAR-DYNAMICS CALCULATION OF THE THERMAL-DIFFUSION FACTOR
    KINCAID, JM
    LI, X
    HAFSKJOLD, B
    FLUID PHASE EQUILIBRIA, 1992, 76 (pt 2) : 113 - 121
  • [5] SCALING OF THE TIME-DEPENDENT DIFFUSION-COEFFICIENT BY MOLECULAR-DYNAMICS SIMULATION
    ZUNIGA, I
    ESPANOL, P
    PHYSICAL REVIEW LETTERS, 1993, 71 (22) : 3665 - 3668
  • [6] CALCULATION OF EQUILIBRIUM ENTROPY DIFFERENCES FROM NONEQUILIBRIUM MOLECULAR-DYNAMICS SIMULATIONS
    BARANYAI, A
    EVANS, DJ
    MOLECULAR PHYSICS, 1991, 72 (01) : 229 - 233
  • [7] CALCULATION OF CONCENTRATION-DEPENDENT MUTUAL DIFFUSION-COEFFICIENT IN DESORPTION OF FILM
    SANO, Y
    YAMAMOTO, S
    JOURNAL OF CHEMICAL ENGINEERING OF JAPAN, 1990, 23 (03) : 331 - 338
  • [8] A reverse nonequilibrium molecular dynamics method for calculating the mutual diffusion coefficient for binary fluids
    Yang, Hua
    Zhang, Jianguo
    Mueller-Plathe, Florian
    Yang, Yongbiao
    CHEMICAL ENGINEERING SCIENCE, 2015, 130 : 1 - 7
  • [9] Extending reverse nonequilibrium molecular dynamics to the calculation of mutual diffusion coefficients in molecular fluid mixtures
    Yang, Hua
    Zhang, Jianguo
    Mueller-Plathe, Florian
    MOLECULAR SIMULATION, 2016, 42 (16) : 1379 - 1384
  • [10] CALCULATION OF ANISOTROPIC DIFFUSION-COEFFICIENT
    TAKEDA, T
    SEKIYA, T
    JOURNAL OF NUCLEAR SCIENCE AND TECHNOLOGY, 1972, 9 (12) : 697 - 704