The usual kinetic theory of dilute gaseous mixtures is employed, via the infinite‐order sudden (IOS) decoupling scheme for the dynamics, to obtain generalized collision integrals and transport properties for molecular mixtures containing N2 and various rare gases (He, Ne, and Ar). The relevant interaction potentials originate from a previous study [F. A. Gianturco, M. Venanzi, and A. S. Dickinson, Mol. Phys. 6 5, 563 (1988)] of the above systems in which a multiproperty analysis of their quality and reliability was attempted by combining scattering data, when available, with diffusion coefficients and interaction viscosity data to select the most accurate of the potential energy surfaces (PES) at hand. The extension of the calculations to second‐order effects allows us to test the importance of such corrections on diffusion and viscosity coefficients, to follow their dependence on the mole fraction of the mixtures, to obtain thermal diffusion and thermal conductivity results and to futher assess the feasibility of multiproperty tests of simple atom–diatom interactions via the calculation of a broader range of transport coefficients.
Gianturco, F., Venanzi, M. (1989). Second-order corrections to transport coefficients of binary gaseous mixtures: N2 with He, Ne and Ar. THE JOURNAL OF CHEMICAL PHYSICS, 91(4), 2525-2536 [10.1063/1.457012].
Second-order corrections to transport coefficients of binary gaseous mixtures: N2 with He, Ne and Ar
VENANZI, MARIANO
1989-08-15
Abstract
The usual kinetic theory of dilute gaseous mixtures is employed, via the infinite‐order sudden (IOS) decoupling scheme for the dynamics, to obtain generalized collision integrals and transport properties for molecular mixtures containing N2 and various rare gases (He, Ne, and Ar). The relevant interaction potentials originate from a previous study [F. A. Gianturco, M. Venanzi, and A. S. Dickinson, Mol. Phys. 6 5, 563 (1988)] of the above systems in which a multiproperty analysis of their quality and reliability was attempted by combining scattering data, when available, with diffusion coefficients and interaction viscosity data to select the most accurate of the potential energy surfaces (PES) at hand. The extension of the calculations to second‐order effects allows us to test the importance of such corrections on diffusion and viscosity coefficients, to follow their dependence on the mole fraction of the mixtures, to obtain thermal diffusion and thermal conductivity results and to futher assess the feasibility of multiproperty tests of simple atom–diatom interactions via the calculation of a broader range of transport coefficients.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.