Ps. Fialho et al., THERMOPHYSICAL PROPERTIES OF ALKALI-METAL VAPORS .1A. PREDICTION AND CORRELATION OF TRANSPORT-PROPERTIES FOR MONATOMIC SYSTEMS, Berichte der Bunsengesellschaft fur Physikalische Chemie, 97(11), 1993, pp. 1487-1492
Citations number
11
Categorie Soggetti
Chemistry Physical
Journal title
Berichte der Bunsengesellschaft fur Physikalische Chemie
New calculations of the collision integrals for the singlet potential
functions involved in the determination of viscosity, thermal conducti
vity and self-diffusion coefficients of the monatomic alkali metal vap
ours are presented. An interpolation procedure for the calculation of
the monatomic systems transport coefficients in a large temperature ra
nge is provided. This is based on temperature correlations of the coll
ision integrals for the singlet and triplet potential functions. The c
alculations have been carried out using a new potential function for t
he ground singlet state of the alkali diatomics. This is a recent vers
ion of the Extended Hartree-Fock Approximate Correlation Energy (EHFAC
E2U), proposed by Varandas et al., which is believed to give a correct
description of the potential energy to vanishing internuclear distanc
es. The results which are compared with previous calculations, are int
ended to be utilized in Part II of this paper in order to assess avail
able experimental data on the viscosity and thermal conductivity coeff
icients of the alkali metal vapours.