Molecule-cluster collisions: Reaction of D sub 2 with Ni sub 13

Conference · Tue Jan 01 04:00:00 EST 1991

OSTI ID:5524615

Jellinek, J; Guevenc, Z B

The reactive channel (dissociative adsorption of the molecule on the cluster) of the D{sub 2} + Ni{sub 13} collision system is studied via quasiclassical molecular dynamics simulations. The effects of the initial rovibrational state of the molecule and of the cluster structure are examined. Pronounced mode-selectivity of the reaction and a strong structure-reactivity correlation are found. A technique to analyze cluster-molecule complex ( resonance'') formation is presented and used to characterize the direct vs indirect reaction pathways, the probability of formation of reactive resonances and their lifetimes.

• Research Organization: Argonne National Lab., IL (United States)
• Sponsoring Organization: DOE; USDOE, Washington, DC (United States)
• DOE Contract Number: W-31109-ENG-38
• OSTI ID: 5524615
• Report Number(s): ANL/CP-75480; CONF-9111193--1; ON: DE92009714
• Country of Publication: United States
• Language: English

Related Subjects

664300* -- Atomic & Molecular Physics-- Collision Phenomena-- (1992-)
74 ATOMIC AND MOLECULAR PHYSICS
COLLISIONS
CROSS SECTIONS
DEUTERIUM
DISSOCIATION
ELEMENTS
ENERGY LEVELS
EXCITED STATES
HYDROGEN ISOTOPES
ISOTOPES
LIGHT NUCLEI
METALS
MOLECULE COLLISIONS
MOLECULE-MOLECULE COLLISIONS
NICKEL
NUCLEI
ODD-ODD NUCLEI
ROTATIONAL STATES
SOLIDS
STABLE ISOTOPES
TRANSITION ELEMENTS
VIBRATIONAL STATES