Bound-free gas transport coefficients via the time correlation formulationbased on an atomic picture

Citation
Rf. Snider et S. Alavi, Bound-free gas transport coefficients via the time correlation formulationbased on an atomic picture, J CHEM PHYS, 110(17), 1999, pp. 8533-8542
Citations number
20
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF CHEMICAL PHYSICS
ISSN journal
00219606 → ACNP
Volume
110
Issue
17
Year of publication
1999
Pages
8533 - 8542
Database
ISI
SICI code
0021-9606(19990501)110:17<8533:BGTCVT>2.0.ZU;2-K
Abstract
The values of gas transport coefficients, when both unbound particles and b ound pairs are present, are standardly accounted for by treating the gas as a mixture of free atoms and bound pairs and using the well-known expressio ns for the transport coefficients for a mixture. But since the bound pairs consist of two atoms, it should also be possible to start from a purely ato mic picture of the gas. This paper accomplishes that aim, starting with the time correlation function expression for the transport coefficient in term s of atomic variables. (C) 1999 American Institute of Physics. [S0021-9606( 99)50117-7].