Calculation of rotational energy transfer rates for HD ( v =1) in collisions with thermal HD

Journal Article · Wed Aug 15 04:00:00 EDT 1990 · Journal of Chemical Physics; (USA)

DOI:https://doi.org/10.1063/1.459022· OSTI ID:6484566

Brown, N J; Longuemare, M ^[1]

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1. Applied Science Division, Lawrence Berkeley Laboratory, Berkeley, California 94720 (USA)

State resolved rotational energy transfer rates for HD+HD collisions have been computed using quasiclassical dynamics. One of the HD molecules is given an energy corresponding to {ital v}=1 and a specific rotational state, {ital J}{sup {ital i}}{sub 1}{le}6. The other HD molecule is given a rotational--vibrational energy corresponding to an eigenstate of HD but selected according to a thermal distribution at 300 K. The translational energy is selected according to the appropriate thermal distribution at 300 K. The energy transfer is dominated by translational--rotational energy exchange. The calculated rotational energy transfer rates are compared with the experiments of Chandler and Farrow. Modest agreement is achieved for {ital J}{sup {ital i}}{sub 1}{le}2. Reasons for the lack of agreement are discussed.

• DOE Contract Number: AC03-76SF00098
• OSTI ID: 6484566
• Journal Information: Journal of Chemical Physics; (USA), Journal Name: Journal of Chemical Physics; (USA) Vol. 93:4; ISSN JCPSA; ISSN 0021-9606
• Country of Publication: United States
• Language: English

Related Subjects

640304* -- Atomic
Molecular & Chemical Physics-- Collision Phenomena
74 ATOMIC AND MOLECULAR PHYSICS
COLLISIONS
DEUTERIDES
DEUTERIUM COMPOUNDS
ENERGY LEVELS
ENERGY TRANSFER
EXCITED STATES
HYDROGEN COMPOUNDS
HYDROGEN DEUTERIDE
MEDIUM TEMPERATURE
MOLECULE COLLISIONS
MOLECULE-MOLECULE COLLISIONS
ROTATIONAL STATES