scholarly journals Kinetic Monte Carlo Simulations of the Grain-surface Back-diffusion Effect

2017 ◽  
Vol 840 (2) ◽  
pp. 61 ◽  
Author(s):  
Eric R. Willis ◽  
Robin T. Garrod
2017 ◽  
Vol 13 (S332) ◽  
pp. 370-373
Author(s):  
Eric R. Willis ◽  
Robin T. Garrod

AbstractBack-diffusion is the phenomenon by which random walkers revisit binding sites on a lattice. This phenomenon must occur on interstellar dust particles, slowing down dust-grain reactions, but it is not accounted for by standard rate-equation models. Microscopic kinetic Monte Carlo models have been used to investigate the effect of back-diffusion on reaction rates on interstellar dust grains. Grain morphology, size, and grain-surface coverage were varied and the effects of these variations on the magnitude of the back-diffusion effect were studied for the simple H+H reaction system. This back-diffusion effect is seen to reduce reaction rates by a maximum factor of ∼5 for the canonical grain of 106 binding sites. The resulting data were fit to logarithmic functions that can be used to reproduce the effects of back-diffusion in rate-equation models.


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