Transport properties of dilute ammonia-noble gas mixtures from new intermolecular potential energy functions

doi:10.1016/j.cjche.2017.07.007

Abstract

Abstract: Previously we have determined the dilute mixture transport properties of slightly polar fluorocarbons using the inverted intermolecular potential energies (Ind. Eng. Chem. Res. 45 (2006) 9211-9223). In the present paper, the corresponding states correlations for reduced viscosity collision integrals were employed to obtain effective unlike interaction potential models for dilute binarymixtures of highly polar molecule ammonia with noble gases. The inverted potentials were fitted to the Morse-Spline-van der Waals (MSV), model potential. The method of least-squares fitting was then applied to identify best consistence force parameters for each ammonia-noble gas mixture, taking advantage of experimental viscosities, diffusion coefficients and thermal conductivities. The proposed potential modelswere compared with those obtained fromother sources, in order to assess the extent of their validity.
The potentials were later employed to calculate transport properties of the studied mixtures. Then, results were compared with those reported in the literature, which led to the acceptable agreement.

Key words: Intermolecular potential energy, Transport properties, Inversion procedure, Mixture, Ammonia, Noble gas

摘要： Previously we have determined the dilute mixture transport properties of slightly polar fluorocarbons using the inverted intermolecular potential energies (Ind. Eng. Chem. Res. 45 (2006) 9211-9223). In the present paper, the corresponding states correlations for reduced viscosity collision integrals were employed to obtain effective unlike interaction potential models for dilute binarymixtures of highly polar molecule ammonia with noble gases. The inverted potentials were fitted to the Morse-Spline-van der Waals (MSV), model potential. The method of least-squares fitting was then applied to identify best consistence force parameters for each ammonia-noble gas mixture, taking advantage of experimental viscosities, diffusion coefficients and thermal conductivities. The proposed potential modelswere compared with those obtained fromother sources, in order to assess the extent of their validity.
The potentials were later employed to calculate transport properties of the studied mixtures. Then, results were compared with those reported in the literature, which led to the acceptable agreement.

关键词: Intermolecular potential energy, Transport properties, Inversion procedure, Mixture, Ammonia, Noble gas

Farshid Zargari, Delara Mohammad-Aghaie, Maryam Lotfi, Masoume Ghorbanipour, Mohammad Mehdi Alavianmehr, Omolbanin Shahraki. Transport properties of dilute ammonia-noble gas mixtures from new intermolecular potential energy functions[J]. Chin.J.Chem.Eng., 2017, 25(12): 1727-1734.

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