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Minimum Cross Diameter for C-6-C-10 Aromatic Compounds

Title
Minimum Cross Diameter for C-6-C-10 Aromatic Compounds
Type
Article in International Scientific Journal
Year
2019
Authors
Jonathan C. Gonçalves
(Author)
Other
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Alexandre F. P. Ferreira
(Author)
FEUP
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Alírio E. Rodrigues
(Author)
FEUP
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Journal
Vol. 42
Pages: 1169-1173
ISSN: 0930-7516
Publisher: Wiley-Blackwell
Indexing
Other information
Authenticus ID: P-00Q-FGY
Abstract (EN): The minimum cross diameter of organic species is highly important in catalyst and adsorbent design. In the aromatics industry, the size of the desired compound is the cornerstone of the commonly known shape-selective processes. In spite of the paramount importance of the said sizes, information in the literature is scarce and inconsistent. A thorough methodology was developed using the commercial software ChemBio3D Ultra. The minimum cross diameter of 21 aromatic compounds was calculated including benzene, toluene, ethylbenzene, xylene isomers, ethyltoluene isomers, diethylbenzene isomers, ethylxylene isomers, and trimethylbenzene isomers.
Language: English
Type (Professor's evaluation): Scientific
No. of pages: 5
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