The Journal of Chemical Physics · 1990 · 33 citations · 27 references
Natural SciencesChemistryPhysicsChemical KineticsMolecular PhysicsPhysical ChemistryElementary ReactionsKinetic ModelingReaction DynamicsReaction MechanismsStatistical MechanicsAnnihilation DecaysBimolecular Reaction DynamicsBimolecular Reaction KineticsBimolecular ReactionsCorrelation FunctionsPair Correlation FunctionsStatistical Reaction DynamicsSuperposition Principle
We study the bimolecular annihilation reaction A+B→0 with immobile reactants in arbitrary dimension. For this we derive a closed set of integrodifferential equations by using Kirkwood’s superposition approximation to decouple the infinite hierarchy of equations for the many-center correlation functions. We find that for exchange-type interactions and equal numbers of A and B species the reactant concentration n decays as n∼ξ−d/2, where ξ is time-dependent, ξ=ln t, and may be interpreted to be an effective reaction radius. A comparison to numerical simulations shows very good agreement to the theoretical expressions, both for the temporal evolution of particle concentrations and also for the pair-correlation functions; this confirms the validity of the superposition approximation.
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Statistical Mechanics of Fluid Mixtures
John G. Kirkwood · The Journal of Chemical Physics · 1935 · 3.5K citations
Natural Sciences, Chemistry, Physics +16
Raoul Kopelman · Science · 1988 · 960 citations
Natural Sciences, Chemistry, Physics +17
Theoretical Treatment of the Kinetics of Diffusion-Limited Reactions
T. R. Waite · Physical Review · 1957 · 861 citations
Natural Sciences, Chemistry, Physics +16