Utility of the CS and IOS approximations for calculating generalized phenomenological cross sections in atom-diatom systems

Conference · Thu Apr 01 00:00:00 EST 1982 · J. Phys. Chem.; (United States)

OSTI ID:6448774

Fitz, D E ^[1]; Kouri, D J; Liu, W K; McCourt, F R; Evans, D; Hoffman, D K

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1. Univ. of Houston, TX

The calculation of shear viscosity and thermal conductivity coefficients in the presence of a magnetic field requires the accurate calculation of several types of generalized phenomenological cross sections in which velocity and angular momentum tensors are coupled with the orbital and rotational motion of the system. These cross sections are then averaged over energy in a fashion appropriate for the phenomenon of interest. The coupled states (CS) and/or infinite order sudden (IOS) approximations have been used to calculate several such cross sections for systems such as He-HCl, He-CO, He-H/sub 2/, HD-Ne, Ar-N/sub 2/, and Ne-H/sub 2/. Excellent results are obtained compared with close-coupled methods for cross sections which are symmetric in tensor index, especially in the CS approximation, and these results are not very sensitive to the choice of orbital wave parameter. On the other hand, the cross sections which are asymmetric in tensor index are much more sensitive to interference effects and are unsatisfactory in many cases.

• OSTI ID: 6448774
• Report Number(s): CONF-8106216-; TRN: 83-005438
• Journal Information: J. Phys. Chem.; (United States), Vol. 86:7; Conference: International symposium on new directions for the molecular theory of gases and liquids, Madison, WI, USA, 18 Jun 1981
• Country of Publication: United States
• Language: English

Related Subjects

71 CLASSICAL AND QUANTUM MECHANICS
GENERAL PHYSICS
CARBON MONOXIDE
ATOM-MOLECULE COLLISIONS
HELIUM
HYDROCHLORIC ACID
HYDROGEN
NEON
HYDROGEN DEUTERIDE
ARGON
NITROGEN
CROSS SECTIONS
SHEAR PROPERTIES
THERMAL CONDUCTIVITY
ATOM COLLISIONS
CARBON COMPOUNDS
CARBON OXIDES
CHALCOGENIDES
COLLISIONS
DEUTERIDES
DEUTERIUM COMPOUNDS
ELEMENTS
FLUIDS
GASES
HYDROGEN COMPOUNDS
INORGANIC ACIDS
MECHANICAL PROPERTIES
MOLECULE COLLISIONS
NONMETALS
OXIDES
OXYGEN COMPOUNDS
PHYSICAL PROPERTIES
RARE GASES
THERMODYNAMIC PROPERTIES
640301* - Atomic
Molecular & Chemical Physics- Beams & their Reactions