P-Mo-88 Benzene adsorption on Mo2C: a theoretical and experimental study

Monday, June 6, 2011
Ontario Exhibit Hall (Detroit Marriott Hotel at the Renaissance Center )
Angela S. Rocha1, Alexandre A. Rocha2 and Victor Teixeira da Silva1, (1)Programa de Engenharia Química, Universidade Federal do Rio de Janeiro, Rio de Janeiro, Brazil, (2)Physical Chemistry, Federal University of Rio de Janeiro, Rio de Janeiro, Brazil
Continuous gas-phase benzene hydrogenation at 363 K and atmospheric pressure was studied using molybdenum carbide. Benzene conversion to cyclohexane was initially 100%, dropping to zero after four hours of reaction. From experimental and DFT results the deactivation is attributed to strong benzene chemisorption on the surface of molybdenum carbide.

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