Molecular-dynamical calculations of the self-diffusion coefficient below the critical density

作者: J.P.J. Michels , N.J. Trappeniers

DOI: 10.1016/0009-2614(75)80136-9

关键词:

摘要: Abstract By means of a molecular dynamical method the self-diffusion coefficient gaseous systems have been calculated at densities below critical. It has found that attractive part intermolecular potential remarkable influence on density dependence diffusion. Moreover, short-time effects in behaviour velocity autocorrelation function, due to forces, detected.

参考文章(16)
P.H. Oosting, N.J. Trappeniers, Proton-spin-lattice relaxation and self-diffusion in methanes Physica. ,vol. 51, pp. 418- 431 ,(1971) , 10.1016/0031-8914(71)90050-4
T. G. Cowling, Sydney Chapman, David Park, The mathematical theory of non-uniform gases ,(1939)
Shoon Kyung Kim, John Ross, Viscosity of Moderately Dense Gases Journal of Chemical Physics. ,vol. 42, pp. 263- 271 ,(1965) , 10.1063/1.1695686
B. J. Alder, T. E. Wainwright, Decay of the Velocity Autocorrelation Function Physical Review A. ,vol. 1, pp. 18- 21 ,(1970) , 10.1103/PHYSREVA.1.18
Eugene M. Holleran, Hugh M. Hulburt, Transport Properties of Gases with a Square‐Well Molecular Interaction Potential The Journal of Chemical Physics. ,vol. 19, pp. 232- 241 ,(1951) , 10.1063/1.1748167
B. J. Alder, T. E. Wainwright, Studies in Molecular Dynamics. I. General Method The Journal of Chemical Physics. ,vol. 31, pp. 459- 466 ,(1959) , 10.1063/1.1730376
Daniel E. Stogryn, Joseph O. Hirschfelder, Contribution of Bound, Metastable, and Free Molecules to the Second Virial Coefficient and Some Properties of Double Molecules The Journal of Chemical Physics. ,vol. 31, pp. 1531- 1545 ,(1959) , 10.1063/1.1730649
N.J. Trappeniers, J.P.J. Michels, The density dependence of the self-diffusion coefficient of krypton Chemical Physics Letters. ,vol. 18, pp. 1- 3 ,(1973) , 10.1016/0009-2614(73)80323-9
P. Protopapas, Hans C. Andersen, N. A. D. Parlee, Theory of transport in liquid metals. I. Calculation of self‐diffusion coefficients The Journal of Chemical Physics. ,vol. 59, pp. 15- 25 ,(1973) , 10.1063/1.1679784
Joseph Kushick, Bruce J. Berne, Role of attractive forces in self‐diffusion in dense Lennard‐Jones fluids The Journal of Chemical Physics. ,vol. 59, pp. 3732- 3736 ,(1973) , 10.1063/1.1680543