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An algorithm of diffusive gas transport in porous solids based on random collisions of molecules (DSMC) is extended to include basic heterogeneous reaction mechanisms (adsorption, coadsorption, desorption, and reaction of gas species on the surface of the solid). With this model, we study the catalytic oxidation of CO inside highly porous nanoparticle layers in the transition regime using kinetic...
A Direct Simulation Monte Carlo (DSMC) method is utilized to simulate gas diffusion in nanoscaled highly porous layers. An open source solver has been extended with the variable soft sphere (VSS) binary collision model and the inflow boundary model was adjusted for small numbers of DSMC particle initialization. Comparison with the analytical diffusion equation illustrate the improvement of the VSS...
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