ePrints

Transport properties of He-CO mixtures

Lookup NU author(s): Professor Alan Dickinson

Downloads

Full text for this publication is not currently held within this repository. Alternative links are provided below where available.

Abstract

Classical trajectory calculations for the collision of He with CO have been carried out, with CO treated as a rigid rotor, for two similar potential energy surfaces, one obtained from high level ab initio calculations and the other from a semi-empirical fit to the infrared spectra of He-CO van der Waals dimers. Second-approximation corrections to the kinetic-theory expressions have been employed in order to carry out comparisons with the most accurate and precise diffusion, shear viscosity, thermal conductivity and thermal diffusion data available. Rotational relaxation data are also considered. Both potentials are found to have good predictive power for these transport and relaxation properties, giving on the whole very good agreement with the experimental data. This indicates that the isotropic components of the two potential surfaces are very similar, and that the anisotropies are not significantly different. It is suggested that the measurement of additional relaxation phenomena in He-CO mixtures could allow a clearer distinction to be made between the two potential surfaces.

Publication metadata

Author(s): McCourt FRW, Ter Horst MA, Heck EL, Dickinson AS

Publication type: Article

Publication status: Published

Journal: Molecular Physics

Year: 2002

Volume: 100

Issue: 24

Pages: 3893-3906

ISSN (print): 0026-8976

ISSN (electronic): 1362-3028

Publisher: Taylor & Francis Ltd.

URL: http://dx.doi.org/10.1080/0026897021000018376

DOI: 10.1080/0026897021000018376

Altmetrics

Share