The transport properties of dilute monatomic gases depend on the two body interactions between like atoms. When two ground state oxygen atoms interact, they can follow any of 18 potential energy curves corresponding to O2, all of which contribute to the transport properties of the ground state atoms. Transport collision integrals have been calculated for those interactions with an attractive minimum in the potential by accurately representingab initio quantum mechanical potential energy curves with the Hulburt-Hirschfelder potential. Repulsive ab initio potential energy curves have been accurately represented either with the exponential repulsive potential or with an exponential repulsive potential with an additional Gaussian term to model a shoulder-like feature on the repulsive wall. Results are given for viscosity, thermal conductivity, and diffusion and they are compared with previous theoretical calculations.
P. M. Holland and L. Biolsi, "Transport Properties of Ground State Oxygen Atoms," Journal of Chemical Physics, vol. 89, no. 5, pp. 3203-3210, American Institute of Physics (AIP), Sep 1988.
The definitive version is available at https://doi.org/10.1063/1.454977
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© 1988 American Institute of Physics (AIP), All rights reserved.
01 Sep 1988