ABSTRACT
We investigate through molecular dynamics the transition from Knudsen to molecular diffusion transport towards two-dimensional absorbing interfaces with irregular geometry. Our results indicate that the length of the active zone decreases continuously with density from the Knudsen to the molecular diffusion regime. In the limit where molecular diffusion dominates, we find that this length approaches a constant value of the order of the system size, in agreement with theoretical predictions for Laplacian transport in irregular geometries. Finally, we show that all these features can be qualitatively described in terms of a simple random-walk model of the diffusion process.
ABSTRACT
We investigate the diffusion-reaction behavior of two-dimensional pore networks at the critical percolation point. Our results indicate the existence of three distinct regimes of reactivity, determined by parameter xi[triple bond]D/(Kl2), where D is the molecular diffusivity of the reagent, K is its chemical reaction coefficient, and l is the length scale of the pore. First, when the diffusion transport is strongly limited by chemical reaction (i.e., D<