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The self-diffusion coefficient in the gas phase at moderate densities, obtained by computer simulations

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  • Michels, J.P.J.
  • Trappeniers, N.J.

Abstract

The self-diffusion coefficient for Lennard-Jones molecules has been determined by molecular dynamics for densities up to the critical one and for temperatures ranging from T = 1.3∈/k to T = 5.56∈/k. At low density, the results are in a good agreement with the theoretical predictions; at elevated densities agreement with the available experimental results is found, although the scarcity of experimental data prevents a general comparison between real systems and the molecular dynamical calculations.

Suggested Citation

  • Michels, J.P.J. & Trappeniers, N.J., 1978. "The self-diffusion coefficient in the gas phase at moderate densities, obtained by computer simulations," Physica A: Statistical Mechanics and its Applications, Elsevier, vol. 90(2), pages 179-195.
    • Handle: RePEc:eee:phsmap:v:90:y:1978:i:2:p:179-195
    DOI: 10.1016/0378-4371(78)90108-5
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    1. Tetsuo Kobayashi, 1962. "Die Betrachtungsweise der neueren betriebswirtschaftlichen Kostentheorie -Auffassung des Ertragsgesetzes-," Kobe Economic & Business Review, Research Institute for Economics & Business Administration, Kobe University, vol. 9, pages 117-128.
    2. Kobayashi, Noboru, 1970. "Some Aspects of Friedrich List's ""Das nationale System der politischen ?konomie""," Economic Review, Hitotsubashi University, vol. 21(1), pages 1-9, February.
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