Point Particle Approximation for Single and Two Species Diffusion-Influenced Reactions

Bulletin of the Korean chemical society

Hyojoon Kim¹ 

关键词: Diffusion-reaction;    Numerical solutions;    Fluctuation effects;    Kirkwood approximation;   

DOI  :  

学科分类：化学（综合）

来源: Korean Chemical Society

【 摘 要 】

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.

【 授权许可】

Unknown