In general, diffusion-limited reactions occur in heterogeneous environments, through which reactants must diffuse to reach its reactive target. Particles comprising the heterogeneous environment could either impose diffusional barriers to the reactants, or even compete with the reactive target. Thus these particles may influence the diffusion-limited reaction. Here, we systematically study how the diffusional kinetics of reactant-target reaction is modified by the physical and chemical nature of the surrounding particles, using numerical models based on representative geometries. The surrounding particles are characterized by the distance from the reactive target, the number of the particles and their distribution, and the reactivity of the particles. Our model study shows that as the target-surrounding particle distance decreases, and the surrounding particle reactivity increases, the rate constant at the target decreases. Additionally, a similar trend is observed as the number of surrounding particles increases. These findings shed light on the role of molecular crowders on reactant-target reaction under a variety of geometric and reactivity conditions.

Influence of molecular crowders on diffusion-limited chemical reactions

246th National Meeting (2013)

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