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Bulletin of the Korean Chemical Society (BKCS)

ISSN 0253-2964(Print)
ISSN 1229-5949(Online)
Volume 34, Number 5
BKCSDE 34(5)
May 20, 2013 

Point Particle Approximation for Single and Two Species Diffusion-Influenced Reactions
Hyojoon Kim
Diffusion-reaction, Numerical solutions, Fluctuation effects, Kirkwood approximation
The fluctuations in concentrations of reactants dominate the long-time dynamics of the single (A + A→0) and two species (A + B→0) diffusion-influenced annihilation reactions. Although hierarchical Smoluchowski approaches can provide a systematic and flexible framework to deal with the fluctuation effects, their results are too complicated to be analytically solved. For the efficient numerical calculation of the complicated fluctuation effect terms, we show that the presented point particle approximation is not only practical but also quite accurate for most conditions in diffusion-influenced reaction systems.
1454 - 1456
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