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Strong Reactivity Enhancement through Molecular Traffic Control in Zeolites
Author(s) -
Chatterjee Sakuntala,
Harish Ramanna,
Schütz Gunter M.
Publication year - 2013
Publication title -
chemie ingenieur technik
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.365
H-Index - 36
eISSN - 1522-2640
pISSN - 0009-286X
DOI - 10.1002/cite.201300030
Subject(s) - zeolite , reactivity (psychology) , monte carlo method , topology (electrical circuits) , catalysis , network topology , molecular dynamics , chemical physics , materials science , chemistry , chemical engineering , computational chemistry , computer science , organic chemistry , mathematics , engineering , medicine , statistics , alternative medicine , pathology , combinatorics , operating system
In the past, the investigation of catalytic reactivity enhancement through molecular traffic control (MTC) by means of dynamical Monte Carlo simulations of catalysis was initiated in simple, idealized zeolite channel networks. These results are reviewed here and, emphasizing more recent work, the conditions of reactivity enhancement through MTC are examined for a realistic channel topology based on the pore structure of the zeolite TNU‐9. For a wide range of reaction rates a very strong MTC effect can be found that increases with grain size. This effect is argued to be a generic feature of a certain class of zeolite pore topologies.