Molecular Traffic Control in Porous Nanoparticles
| dc.creator | Brzank, Andreas | |
| dc.creator | Schuetz, Gunter | |
| dc.date | 2005-03-03 | |
| dc.date | 2005-06-29 | |
| dc.date.accessioned | 2026-07-07T03:03:59Z | |
| dc.date.available | 2026-07-07T03:03:59Z | |
| dc.description | 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 $A\to B$ 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. | |
| dc.description | corrected affiliation | |
| dc.identifier | https://arxiv.org/abs/cond-mat/0503068 | |
| dc.identifier | http://arxiv.org/abs/cond-mat/0503068 | |
| dc.identifier.uri | http://salesiana.dossiersoluciones.com/handle/123456789/25965 | |
| dc.subject | Statistical Mechanics | |
| dc.subject | Soft Condensed Matter | |
| dc.title | Molecular Traffic Control in Porous Nanoparticles | |
| dc.type | text |