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A Dynamic Model of The Oxidation of n-Butane and 1-Butene on Various Crystalline Faces of (VO)2P2O7

1990; Elsevier BV; Linguagem: Inglês

10.1016/s0167-2991(08)60194-9

2542-6613

Jacek Ziółkowski, E. Bordes, P. Courtine,

Thermal and Kinetic Analysis

The structure and performance of various crystal faces of (VO)2P2O7 in the mild oxidation of n-butane and butene in maleic anhydride are analyzed using the crystallochemical model of active sites (CMAS). The model provides geometric and energetic maps of each face and allows to calculate the energetics of the elementary steps involving adsorption, desorption, as well as movements of oxygen, hydrogen and water along the surface. Surface energy calculations and Curie-Wulff plot show that the crystals of (VO)2P2O7 should be bordered by (100), (021) and (001). Application of CMAS to these faces accounts for the favourable specificity of (100) (VO)2P2O7 in oxidation of butane.