The Journal of Chemical Physics · 1978 · 14 citations · 4 references
Natural SciencesChemistryPhysicsChemical KineticsPhysical ChemistryTheoretical ChemistryAtomic CollisionsCollision TheoryKinetic ModelingMolecular CollisionsReaction DynamicsScattering ProcessesDifferential Cross SectionsImpulsive SystemsKinetic Molecular TheoryKinetic TheoryMolecular Beam ExperimentsMolecular Beam KineticsReactive CollisionsReactive Scattering Theory
Presented here is a classical model for the reactive collisions A+BC→AB+C that is simple enough to be incorporated into kinetic theory calculations. This model involves a combination of reactive and nonreactive impulsive interactions between the participating particles. For the reactive impulse we use a generalization of the DIPR model proposed by Kuntz, Mok, and Polanyi. The nonreactive part of the interaction includes initial and final rigid-sphere-like repulsions between the reactants and the products, respectively. The angular momenta of AB and BC are taken into account. When the reactive impulse dominates the double differential cross sections reported here agree better with the results of molecular beam experiments than those generated by the latest version of DIPR, as proposed by Kuntz. The scattering is backward.
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