A Theoretical Study of the Solid Acid Catalyzed Desulfurization of Thiophene

Desulfurization of thiophene upon contact with acidic zeolite has been studied theoretically using a DFT-based method. Two different mechanisms have been compared: one occurring in the absence of hydrogen and one occurring with the participation of hydrogen. Interestingly, the presence of hydrogen d...

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Veröffentlicht in:	Journal of Catalysis 1999-04, Vol.183 (1), p.107-118
Hauptverfasser:	Saintigny, Xavier, van Santen, Rutger A., Clémendot, Sylvain, Hutschka, François
Format:	Artikel
Sprache:	eng
Schlagworte:	01 COAL, LIGNITE, AND PEAT 02 PETROLEUM CATALYSIS CATALYTIC EFFECTS Catalytic reactions Chemistry DESULFURIZATION Exact sciences and technology General and physical chemistry HYDROGEN MATHEMATICAL MODELS Theory of reactions, general kinetics. Catalysis. Nomenclature, chemical documentation, computer chemistry THIOPHENE ZEOLITES
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