Energy transfer in reactive and non-reactive H/sub 2/ + OH collisions

Conference · Mon Apr 01 04:00:00 EST 1985

OSTI ID:5702512

Rashed, O; Brown, N J

We have used the methods of quasi-classical dynamics to compute energy transfer properties of non-reactive and reactive H/sub 2/ + OH collisions. Energy transfer has been investigated as function of translational temperature, reagent rotational energy, and reagent vibrational energy. The energy transfer mechanism is complex with ten types of energy transfer possible, and evidence was found for all types. There is much more exchange between the translational degree of freedom and the H/sub 2/ vibrational degree of freedom than there is between translation and OH vibration. Translational energy is transferred to the rotational degrees of freedom of each molecule. There is a greater propensity for the transfer of translation to OH rotation than H/sub 2/ rotation. In reactive collisions, increases in reagent translational temperature predominantly appear as vibrational energy in the water molecule. Energy transfer in non-reactive and reactive collisions does not depend strongly on the initial angular momentum in either molecule. In non-reactive collisions, vibrational energy is transferred to translation, to the rotational degree of freedom of the same molecule, and to the rotational and vibrational degrees of freedom of the other molecule. In reactive collisions, the major effect of increasing the vibrational energy in reagent molecules is that, on the average, the vibrational energy of the reagents appears as product vibrational energy. 18 refs., 16 figs., 6 tabs.

• Research Organization: Lawrence Berkeley Lab., CA (USA)
• DOE Contract Number: AC03-76SF00098
• OSTI ID: 5702512
• Report Number(s): LBL-19458; CONF-8504113-2; ON: DE85011156
• Country of Publication: United States
• Language: English

Related Subjects

640304* -- Atomic
Molecular & Chemical Physics-- Collision Phenomena
74 ATOMIC AND MOLECULAR PHYSICS
CHEMICAL REACTIONS
COLLISIONS
DATA
ELEMENTS
ENERGY LEVELS
ENERGY TRANSFER
EXCITED STATES
HYDROGEN
HYDROXYL RADICALS
INFORMATION
MOLECULE COLLISIONS
MOLECULE-MOLECULE COLLISIONS
NONMETALS
NUMERICAL DATA
RADICALS
THEORETICAL DATA
VIBRATIONAL STATES