Mode selectivity in cluster-molecule interactions: Ni sub 13 + D sub 2
Conference
·
OSTI ID:5543820
Results of a detailed quasiclassical simulation study of the Ni{sub 13} + D{sub 2} collision system are presented. The dissociative adsorption of the molecule as well as its scattering from the cluster are analyzed as functions of the initial rovibrational molecular state, collision energy and structure of the cluster. Mode-specific features of the reactive and nonreactive channels of the cluster-molecule interaction are displayed and discussed. Evidence for resonances and for a strong cluster structure-reactivity correlation is presented. 13 refs., 6 figs.
- Research Organization:
- Argonne National Lab., IL (USA)
- Sponsoring Organization:
- DOE; USDOE, Washington, DC (USA)
- DOE Contract Number:
- W-31109-ENG-38
- OSTI ID:
- 5543820
- Report Number(s):
- ANL/CP-73275; CONF-9105200--1; ON: DE91013352
- Country of Publication:
- United States
- Language:
- English
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Related Subjects
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
400201 -- Chemical & Physicochemical Properties
640304* -- Atomic
Molecular & Chemical Physics-- Collision Phenomena
74 ATOMIC AND MOLECULAR PHYSICS
CATALYSIS
CHEMICAL REACTIONS
CHEMISORPTION
COLLISIONS
COMPUTERIZED SIMULATION
DATA
DEUTERIUM
DISSOCIATION
DYNAMICS
ELEMENTS
ENERGY LEVELS
EXCITED STATES
FUNCTIONS
HAMILTONIAN FUNCTION
HETEROGENEOUS CATALYSIS
HYDROGEN ISOTOPES
INFORMATION
ISOTOPES
LIGHT NUCLEI
MECHANICS
METALS
MOLECULE COLLISIONS
NICKEL
NUCLEI
NUMERICAL DATA
ODD-ODD NUCLEI
ROTATIONAL STATES
SEPARATION PROCESSES
SIMULATION
SOLID CLUSTERS
SORPTION
STABLE ISOTOPES
THEORETICAL DATA
TRANSITION ELEMENTS
VIBRATIONAL STATES
400201 -- Chemical & Physicochemical Properties
640304* -- Atomic
Molecular & Chemical Physics-- Collision Phenomena
74 ATOMIC AND MOLECULAR PHYSICS
CATALYSIS
CHEMICAL REACTIONS
CHEMISORPTION
COLLISIONS
COMPUTERIZED SIMULATION
DATA
DEUTERIUM
DISSOCIATION
DYNAMICS
ELEMENTS
ENERGY LEVELS
EXCITED STATES
FUNCTIONS
HAMILTONIAN FUNCTION
HETEROGENEOUS CATALYSIS
HYDROGEN ISOTOPES
INFORMATION
ISOTOPES
LIGHT NUCLEI
MECHANICS
METALS
MOLECULE COLLISIONS
NICKEL
NUCLEI
NUMERICAL DATA
ODD-ODD NUCLEI
ROTATIONAL STATES
SEPARATION PROCESSES
SIMULATION
SOLID CLUSTERS
SORPTION
STABLE ISOTOPES
THEORETICAL DATA
TRANSITION ELEMENTS
VIBRATIONAL STATES