Atomic Scale Insights on Chlorinated γ-Alumina Surfaces

The thermochemistry of chlorinated γ-alumina surfaces is explored by means of density functional calculations as a function of relevant reaction conditions used in experiments and in high-octane fuel production in the refining industry such as hydrocarbon isomerization and reforming. The role of chl...

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Veröffentlicht in:	Journal of the American Chemical Society 2008-08, Vol.130 (33), p.11030-11039
Hauptverfasser:	Digne, Mathieu, Raybaud, Pascal, Sautet, Philippe, Guillaume, Denis, Toulhoat, Hervé
Format:	Artikel
Sprache:	eng
Schlagworte:	Adsorption Aluminum Oxide - chemistry Chlorine - chemistry Hydrochloric Acid - chemistry Hydrogen Bonding Models, Chemical Pressure Spectrophotometry, Infrared - methods Surface Properties Temperature Thermodynamics Water - chemistry
Online-Zugang:	Volltext
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