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Cover Picture: The Effect of Confined Space on the Growth of Naphthalenic Species in a Chabazite‐Type Catalyst: A Molecular Modeling Study (ChemCatChem 3/2009)
Author(s) -
Hemelsoet Karen,
Nollet Arno,
Vandichel Matthias,
Lesthaeghe David,
Van Speybroeck Veronique,
Waroquier Michel
Publication year - 2009
Publication title -
chemcatchem
Language(s) - English
Resource type - Reports
SCImago Journal Rank - 1.497
H-Index - 106
eISSN - 1867-3899
pISSN - 1867-3880
DOI - 10.1002/cctc.200990009
Subject(s) - chabazite , bicyclic molecule , zeolite , chemistry , catalysis , ab initio , computational chemistry , hydrocarbon , confined space , olefin fiber , organic chemistry
The cover picture shows a goldfish trapped in too small a fishbowl. In a similar manner, bulky species confined within the pores of a zeolites may or may not have the potential to grow further. This theory is put to the test by Van Speybroeck et. al in their paper on page 373 ff., by determining ab initio rate coefficients of growth reactions involving bicyclic compounds within a chabazite‐type zeolite. Owing to the severe space limitations, the importance of dispersive interactions is highlighted. The results exclude bicyclic compounds as active hydrocarbon pool species within the sidechain mechanism during the methanol‐to‐olefin process.