Moderately dense gas transport coefficients via time correlation functions. I. General formalism

From National Research Council Canada

DOI	Resolve DOI: https://doi.org/10.1063/1.480098
Author	Search for: Snider, R. F.; Search for: Alavi, Saman
Format	Text, Article
Subject	transport processes; viscosity
Abstract	A new method is developed for deriving first order density corrections to gas transport coefficients using the time correlation function formalism. In a moderately dense gas, both kinetic and potential contributions to the flux are significant. This article extends the projection operator technique developed in our previous work for purely kinetic flux operators [J. Chem. Phys. 109, 3452 (1998)] to include the effects of the potential contribution to the flux. The method introduces two projection operators, one for each of the kinetic and potential flux contributions, with the consequence that the calculation of a transport coefficient involves a matrix associated with the two flux contributions, and the inversion of this matrix. The binary collision expansion of the resolvent in each of the matrix elements allows a transport coefficient at moderate gas densities to be expressed in terms of integrals over functions of the intermolecular potential. In the following article, it is shown that these results are consistent (that is, within a similar level of approximation of the integrals) with the known density corrections for the coefficients of viscosity and thermal conductivity.
Publication date	1999-10-15
In	The Journal of Chemical Physics 111, no. 15 (15 October 1999): 6909–6921.
Language	English
Peer reviewed	Yes
NRC publication	This is a non-NRC publication "Non-NRC publications" are publications authored by NRC employees prior to their employment by NRC.
NPARC number	12327148
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Record identifier	03d6c0dc-8017-4182-913a-e05b2d6039a3
Record created	2009-09-10
Record modified	2020-03-20

Date modified:: 2024-07-21