Physics – Condensed Matter – Statistical Mechanics
Scientific paper
2005-06-08
Physics
Condensed Matter
Statistical Mechanics
corrected affiliation
Scientific paper
We study the conditions for reactivity enhancement of catalytic processes in porous solids by use of molecular traffic control (MTC) as a function of grain size. We extend a recently introduced two dimensional model system to three dimensions. With dynamic Monte-Carlo simulations and analytical solution of the associated Master equation we obtain a quantitative description of the MTC effect in the limit of fast reactivity. The efficiency ratio (compared with a topologically and structurally similar reference system without MTC) is inversely proportional to the grain diameter.
Brzank Andreas
Kwon Sungchul
Schuetz Gunter
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