ACCURATE THERMOPHYSICAL PROPERTIES OF NEAT GLOBULAR GASES AND THEIR BINARY MIXTURES DETERMINED BY MEANS OF AN ISOTROPIC TEMPERATURE-DEPENDENT POTENTIAL

摘要

We present results on self-consistent calculations of second pVT- virial coefficients B(T), viscosity data η(T) and diffusion coefficients ρD for heavy globular gases (BF_3, CF_4, SiF_4, CCl_4, SiCl_4, SF_6, MoF_6, WF_6, UF_6, C(CH_3)_4, and Si(CH_3)_4) and their binary mixtures with globular gases, and Ar, Kr, and Xe, respectively. The calculations are performed mainly in the temperature range between 200 and 900K by means of isotropic n-6 potentials with explicitly temperature-dependent separation r_m(T) and potential well-depth ε(T). In the case of the pure gases the potential parameters at T = 0 K (ε, r_m n) and the enlargement of the first level radii δ are obtained solving an ill-posed problem of minimizing the squared deviations between experimental and calculated values normalized to their relative experimental error. The temperature dependence of the potential is a result of the influence of vibrational excitation on binary interactions. The interaction potential of the binary mixtures are obtained with simple combination rules from the potential parameters of the neat gases. In all cases we observe excellent reproduction of the experimental thermophysical properties of the neat gases and the binary mixtures.