Molecular Dynamics Simulation of the Maxwell-Stefan Diffusion Coefficients in Lennard-Jones Liquid Mixtures

References

• Wakeham , W. A. , Nagashima , A. and Sengers , J. V. 1991 . Measurement of the transport properties of fluids, Experimental thermodynamics , Vol. III , Oxford : Blackwell .
   Google Scholar
• van de Ven-Lucassen , I. M. J. J. , Kemmere , M. F. and Kerkhof , P. J. A. M. 1997 . Complications in the use of the Taylor dispersion method for ternary diffusion measurements: methanol + acetone + water mixtures . J. Solution Chem. , 26 : 1145
   Web of Science ®Google Scholar
• Schoen , M. and Hoheisel , C. 1984 . The mutual diffusion coefficient D 12 in binary liquid model mixtures. Molecular dynamics calculations based on Lennard-Jones (12–6) potentials. I. The method of determination . Molec. Physics , 52 : 33
   Web of Science ®Google Scholar
• Schoen , M. and Hoheisel , C. 1984 . The mutual diffusion coefficient D 12 in liquid model mixtures. A molecular dynamics study based on Lennard-Jones (12–6) potentials. II. Lorentz-Berthelot mixtures . Molec. Physics , 52 : 1029
   Web of Science ®Google Scholar
• Hansen , J. P. and McDonald , I. R. 1986 . Theory of Simple Liquids , 2nd edn. London : Academic Press . Chap. 8
   Google Scholar
• van de Ven-Lucassen , I. M. J. J. , Vlugt , T. J. H. , Van der Zanden , A. J. J. and Kerkhof , P. J. A. M. 1998 . Using molecular dynamics to obtain Maxwell-Stefan diffusion coefficients in liquid systems . Molec. Phys. , 94 : 495
   Web of Science ®Google Scholar
• Taylor , R. and Krishna , R. 1993 . Multicomponent Mass Transfer , New York : Wiley .
   Google Scholar
• Chandler , D. 1987 . Introduction to Modern Statistical Mechanics , Oxford University Press . Chap. 8
   Google Scholar
• Evans , D. J. and Morriss , G. P. 1990 . Statistical Mechanics of Non-Equilibrium Fluids , San Diego : Academic Press .
   Google Scholar
• Frenkel , D. and Smit , B. 1996 . Understanding Molecular Simulation. From Algorithms to Applications , San Diego : Academic Press .
   Google Scholar
• Naghizadeh , J. and Rice , S. A. 1962 . Kinetic theory of dense fluids. X. Measurement and interpretation of Self-Diffusion in liquid Ar, Kr, Xe, CH4 . J. Phys. Chem. , 36 : 2710
   Google Scholar
• Krishna , R. and Wesselingh , J. A. 1997 . The Maxwell-Stefan approach to mass transfer . Chem. Eng. Sci. , 52 : 861
   Web of Science ®Google Scholar
• Lee , J. C. 1997 . Mutual diffusion in a liquid mixture of argon and krypton . Physica A , 247 : 140
   Google Scholar