Collision integrals within the Chapman–Enskog theory for a generalized Lennard-Jones potential
J
Joseph R. Perko
(Advanced Computing, Mathematics and Data Division, Pacific Northwest National Laboratory 1 , 902 Battelle Boulevard, P.O. Box 999, MS J7-10, Richland, Washington 99352,)
S
Sotiris S. Xantheas
(Department of Chemistry)
Abstract
We report the values of the collision integrals, needed for the calculation of the macroscopic transport properties such as viscosity (η) and diffusion coefficient (D) of gases within the Chapman–Enskog kinetic gas theory, for a generalized Lennard-Jones potential (gLJ), a more general potential with an adjustable long range 1/r dependence that can describe a wide range of intermolecular interactions.
Article Details
Journal
The Journal of Chemical Physics
Volume / Issue
Vol. 162, Issue 3
Published
January 21, 2025
ISSN
0021-9606
Publisher
American Institute of Physics
Journal Info
The Journal of Chemical Physics
American Institute of Physics
ISSN: 0021-9606 Physical Sciences
Authors (2)
J
Joseph R. Perko
Advanced Computing, Mathematics and Data Division, Pacific Northwest National Laboratory 1 , 902 Battelle Boulevard, P.O. Box 999, MS J7-10, Richland, Washington 99352,
S
Sotiris S. Xantheas
Department of Chemistry
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