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

J.P.J. Michels and N.J. Trappeniers

Physica A: Statistical Mechanics and its Applications, 1978, vol. 90, issue 2, 179-195

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.

Date: 1978
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Persistent link: https://EconPapers.repec.org/RePEc:eee:phsmap:v:90:y:1978:i:2:p:179-195

DOI: 10.1016/0378-4371(78)90108-5

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