Journal of Chemical Physics, Vol.110, No.17, 8533-8542, 1999
Bound-free gas transport coefficients via the time correlation formulation based on an atomic picture
The values of gas transport coefficients, when both unbound particles and bound 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 expressions 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 atomic picture of the gas. This paper accomplishes that aim, starting with the time correlation function expression for the transport coefficient in terms of atomic variables.