Modeling ethane oxy-dehydrogenation over monolithic combustion catalysts

• Published in: AIChE journal Vol. 50; no. 9; pp. 2233 - 2245
• Main Authors: Caputo, Francesco Donsfi Tiziana, Russo, Gennaro, Di Benedetto, Almerinda, Pirone, Raffaele
• Format: Journal Article
• Language: English
• Published: New York American Institute of Chemical Engineers 01.09.2004; Wiley Subscription Services
• Subjects: Applied sciences; Catalysis; Catalysts; Catalytic reactions; Chemical engineering; Chemistry; ethane ODH; Ethylene; ethylene production; Exact sciences and technology; General and physical chemistry; Heat and mass transfer. Packings, plates; Hydrodynamics of contact apparatus; Mathematical modeling; Mathematical models; monolith reactor; Reactors; short contact time; Theory of reactions, general kinetics. Catalysis. Nomenclature, chemical documentation, computer chemistry; Hot spot; Carbon dioxide; Heat production; Monolithic construction; Combustion; Modeling; Optimization; Dehydrogenation; Navier Stokes equation; Oxidation; Catalyst activity; Catalyst; Heat transfer
• ISSN: 0001-1541; 1547-5905
• DOI: 10.1002/aic.10180

A numerical approach is used to investigate the role of a combustion catalyst in the oxidative dehydrogenation of ethane at short contact times for ethylene production. A two‐dimensional (2‐D) model, with mass and energy equations coupled with the Navier‐Stokes equations, is applied to show that an oxidation catalyst can beneficially affect the formation of ethylene, by optimizing the sacrifice of ethane for producing heat with a larger selectivity to CO2 than a purely homogeneous process. Simulations also showed that for exceedingly high catalyst activity hot spots are formed on the catalyst walls, as the characteristic times of heat production become comparable with those of heat transfer. This may result into the formation of byproducts that reduce ethylene selectivity. © 2004 American Institute of Chemical Engineers AIChE J, 50: 2233–2245, 2004