Rapidly growing computational power of computers and corresponding development of scientific software allows more accurate simulations of catalytic systems. Results of computer experiments are very helpful in understanding the catalytic process. Present work is dedicated to analysis of catalytic behavior of Pt-Sn/g-Al2O3 system. Different computational methods such as Molecular Dynamics and Grand Canonical Monte Carlo were used in calculations. Techniques chosen for sorption simulations allowed evaluating such properties as energy of adsorption, location of adsorption centers or adsorption isotherms. In case of diffusive properties diffusion coefficients and their dependency on temperature were evaluated.
The summary of the main results of the project "Catalytic VOC (H-VOCS) combustion in gas streams from coal and waste combustors" realized in the frame of INCO-COPERNICUS program under contract No. 1COP-DEMO-2094-1996 is presented.
Investigations of H-VOC's catalytic combustion was carried out by use of platinum, palladium and chromium catalyst prepared using grain supports. The influence of GHSV, concentration of TCE and reaction temperature catalyst of the TCE combustion was investigated.
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