Second virial coefficients as function of temperature are computed for the title molecular systems interacting with He, Ne, and Ar. The relevant anisotropic forces are obtained via accurate potential functions tested earlier through the analysis of several, different properties of the various systems. The relevant quantum corrections are also computed, in addition to the classical results, and their effects analyzed vis à vis the available experimental data. The influence of such corrections on the very low-T behavior of the virial coefficients and on the determination of the Boyle temperatures is also shown and discussed. All examined potential functions are found to yield B(T) values in rather good accord with experiments, in spite of their marked differences in anisotropic behavior and in the shape of their potential well regions. © 1989 American Institute of Physics.

Gianturco, F., Venanzi, M. (1989). Second virial coefficients for O2 and N2 mixtures with rare gases: A computational assessment. THE JOURNAL OF CHEMICAL PHYSICS, 91(9), 5352-5358 [10.1063/1.457583].

Second virial coefficients for O2 and N2 mixtures with rare gases: A computational assessment

VENANZI, MARIANO
1989-01-01

Abstract

Second virial coefficients as function of temperature are computed for the title molecular systems interacting with He, Ne, and Ar. The relevant anisotropic forces are obtained via accurate potential functions tested earlier through the analysis of several, different properties of the various systems. The relevant quantum corrections are also computed, in addition to the classical results, and their effects analyzed vis à vis the available experimental data. The influence of such corrections on the very low-T behavior of the virial coefficients and on the determination of the Boyle temperatures is also shown and discussed. All examined potential functions are found to yield B(T) values in rather good accord with experiments, in spite of their marked differences in anisotropic behavior and in the shape of their potential well regions. © 1989 American Institute of Physics.
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Rilevanza internazionale
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Sì, ma tipo non specificato
Settore CHIM/02 - Chimica Fisica
English
Con Impact Factor ISI
Gianturco, F., Venanzi, M. (1989). Second virial coefficients for O2 and N2 mixtures with rare gases: A computational assessment. THE JOURNAL OF CHEMICAL PHYSICS, 91(9), 5352-5358 [10.1063/1.457583].
Gianturco, F; Venanzi, M
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/2108/44733
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