The second virial coefficient of gaseous mixtures at 90°K

Communication No. 317a from the Kamerlingh Onnes Laboratorium, Leiden, Nederland
Physica 01/1959; DOI: 10.1016/0031-8914(59)90012-6

ABSTRACT The second virial coefficients of 13 binary gas mixtures have been measured at 90°K. A new experimental method is described and the data are compared with calculations using the Lennard-Jones 6–12 potential and combination rules.

  • [Show abstract] [Hide abstract]
    ABSTRACT: The Hirschfelder-Eucken assumption of an independent transport of translational and internal energy in gaseous noble gas + hydrogen mixtures is shown to be consistent with experimental thermal conductivity data for the binary systems Ne + H2, Ne + D2, Ar + H2, Ar + D2, Kr + H2 and D2.
    Chemical Physics Letters 08/1976; 42(1):64–68. DOI:10.1016/0009-2614(76)80552-0 · 1.99 Impact Factor
  • [Show abstract] [Hide abstract]
    ABSTRACT: A new highly accurate interaction potential is constructed for the He-H2 van der Waals complex. This potential is fitted to 1900 ab initio energies computed at the very large-basis coupled-cluster level and augmented by corrections for higher-order excitations (up to full configuration interaction level) and the diagonal Born-Oppenheimer correction. At the vibrationally averaged H-H bond length of 1.448736 bohrs, the well depth of our potential, 15.870 ± 0.065 K, is nearly 1 K larger than the most accurate previous studies have indicated. In addition to constructing our own three-dimensional potential in the van der Waals region, we present a reparameterization of the Boothroyd-Martin-Peterson potential surface [A. I. Boothroyd, P. G. Martin, and M. R. Peterson, J. Chem. Phys. 119, 3187 (2003)] that is suitable for all configurations of the triatomic system. Finally, we use the newly developed potentials to compute the properties of the lone bound states of (4)He-H2 and (3)He-H2 and the interaction second virial coefficient of the hydrogen-helium mixture.
    The Journal of Chemical Physics 10/2013; 139(14):144305. DOI:10.1063/1.4824299 · 3.12 Impact Factor
  • [Show abstract] [Hide abstract]
    ABSTRACT: Crossed beams differential scattering cross sections have been measured for HeAr, HeKr, and HeXe with a new beam modulation technique at two energies. Interatomic potential functions have been found which describe both scattering and dilute gas bulk properties for these systems. Potential functions independently determined from gas phase bulk properties are shown to give a very good account of the scattering data. The potential well depth is found to be about equal for the three systems, in agreement with Chen et al. [J. Chem. Phys. 59, 601 (1973)], although our values are in average 17% larger than those found in the cited work. Also, the deviations of the three potentials from a common shape are smaller than those found by Chen et al. The ability of combining rules to predict the mixed interaction from a knowledge of the pure gas interactions is tested. In contrast to some of the previous work in the field, we conclude that simple combining rules can be found that give useful predictions.
    The Journal of Chemical Physics 07/1977; 67(1). DOI:10.1063/1.434560 · 3.12 Impact Factor