Raihan Alfaridzi , Herbert M. Urbassek , Yudi Rosandi
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Ice-grain impact on a rough amorphous silica surface
Using molecular dynamics simulation, we analyze the collision between a water-ice grain and a silica surface. Both a flat and porous surfaces are studied. We find that the presence of pores in the silica sample and the induced roughness of the silica surface significantly influence the collision outcome. The presence of pores on the surface increases the contact area of the colliding grain with the silica sample, and consequently also the number of reaction products, i.e., water dissociation products and silanol groups formed at the silica surface. The effect is maximum if the pore size is of the order of the grain radius. In addition, the presence of pores on the surface allows for the penetration of water molecules under the surface, molecule ejection from the colliding ice grain is enhanced, and dissipation of the collision energy into the sample is hindered.
期刊介绍:
Chemical Physics publishes experimental and theoretical papers on all aspects of chemical physics. In this journal, experiments are related to theory, and in turn theoretical papers are related to present or future experiments. Subjects covered include: spectroscopy and molecular structure, interacting systems, relaxation phenomena, biological systems, materials, fundamental problems in molecular reactivity, molecular quantum theory and statistical mechanics. Computational chemistry studies of routine character are not appropriate for this journal.