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Molecular Traffic Control in Porous Nanoparticles | | Andreas Brzank
; Gunter Schuetz
; | | Date: |
3 Mar 2005 | | Subject: | Statistical Mechanics; Soft Condensed Matter | cond-mat.stat-mech cond-mat.soft | | Abstract: | We investigate the conditions for reactivity enhancement of catalytic processes in porous solids by use of molecular traffic control (MTC) as a function of reaction rate and grain size. With dynamic Monte-Carlo simulations and continuous-time random walk theory applied to the low concentration regime we obtain a quantitative description of the MTC effect for a network of intersecting single-file channels in a wide range of grain parameters and for optimal external operating conditions. The efficiency ratio (compared with a topologically and structurally similar reference system without MTC) is inversely proportional to the grain diameter. However, for small grains MTC leads to a reactivity enhancement of up to approximately 30% of the catalytic conversion $A o B$ even for short intersecting channels. This suggests that MTC may significantly enhance the efficiency of a catalytic process for small porous nanoparticles with a suitably chosen binary channel topology. | | Source: | arXiv, cond-mat/0503068 | | Services: | Forum | Review | PDF | Favorites | |
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