Transport properties of He-CO mixtures

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Abstract
Classical trajectory calculations of diffusion, viscosity, thermal conductivity and thermal diffusion in first-order kinetic theory have been performed using the MKWA ab initio potential energy surface of Moszynski et al. [3] for temperatures in the range 77–800 K, and compared with available experimental data and previous calculations. For diffusion and viscosity the results are consistent with experiment. The ≈5% disagreement between the present results and the measurements for thermal conductivity could stem in part from the omission of higherorder terms in the kinetic theory expansion. The results for thermal diffusion suggest that the repulsive part of the potential energy surface may be too anisotropic. While there are no measurements for DPR and viscomagnetic effect cross-sections, comparison of the present results with previous calculations by Gianturco et al. [10, 14] suggests that in the region sampled in room temperature collisions the anisotropy of the MKWA potential energy surface by Moszynski et al. [3] is significantly less than that of a surface reported earlier by Thomas et al. [12].

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