Dynamics of Reactive Collisions: The H +H₂ Exchange Reaction

Journal Article · Wed Apr 01 00:00:00 EST 1964 · Journal of Chemical Physics

DOI:https://doi.org/10.1063/1.1725438· OSTI ID:4033024

Karplus, M.; Porter, R. N.; Sharma, R. D.

The results of a direct examination of the collision dynamics that represents the first complete quasiclassical calculation of an atom-molecule (H,H₂) exchange reaction for a realistic potential without restrictive approximations are outlined. The differential and the total cross sections for the reaction are evaluated by integration of the appropriate equations of motion. From the cross sections, rate constants were determined by averaging over the distribution of initial conditions corresponding to particular experimental situations. Analysis of trajectories yielded detailed information concerning the nature of the reactive collision (collision time, configuration in neighborhood of saddle point, dependence of reaction probability on impact parameter). (P.C.H.)

• Research Organization: Columbia Univ., New York
• Sponsoring Organization: USDOE
• NSA Number: NSA-18-018566
• OSTI ID: 4033024
• Journal Information: Journal of Chemical Physics, Journal Name: Journal of Chemical Physics Journal Issue: 7 Vol. 40; ISSN JCPSA6; ISSN 0021-9606
• Publisher: American Institute of Physics (AIP)
• Country of Publication: Country unknown/Code not available
• Language: English

Related Subjects

ATOMS
COLLISIONS
CONFIGURATION
CROSS SECTIONS
EQUATIONS
HYDROGEN
MECHANICS
MOLECULES
NUMERICALS
PARTICLE TRACKS
PHYSICS
PROBABILITY
QUANTITY RATIO
REACTION KINETICS