Oxidation of o-xylene to phthalic anhydride over V{sub 2}O{sub 5}/TiO{sub 2} catalysts. Part 4. Mathematical modelling study and analysis of the reaction network
- Instituto Superior Tecnico, Lisboa (Portugal)
- Brunel Univ., Middlesex (United Kingdom)
Results previously obtained for the oxidation of o-xylene and o-tolualdehyde over a 1% V{sub 2}O{sub 5}/TiO{sub 2} catalyst have been subjected to mathematical modelling, using comprehensive {open_quotes}rake{close_quotes} networks which incorporate adsorbed intermediates, a variety of routes to CO{sub 2}, and provision for the formation and removal from the surface of a {open_quotes}residue{close_quotes} formed at low conversion by both reactant conversion are presented; these contain series of parameters that are complex functions of the rate constants for the individual steps, their values being obtained by regression analysis. The modelling confirms that phthalic anhydride is formed through a sequential process involving adsorbed forms of o-tolualdehyde and phthalide as intermediates, but it is not formed by direct conversion of o-xylene and o-tolualdehyde. At high conversion, phthalic anhydride selectivity generally passes through a maximum, showing that it can undergo further oxidation to CO{sub 2}. The selectivity for the {open_quotes}residue{close_quotes} (S{sub R}) also passes through a maximum as it is removed from the surface; moreover, the initial slopes of S{sub r} vs conversion curves show that the {open_quotes}residue{close_quotes} is formed early in the reaction network. 30 refs., 2 figs., 2 tabs.
- OSTI ID:
- 468679
- Journal Information:
- Journal of Catalysis, Journal Name: Journal of Catalysis Journal Issue: 2 Vol. 164; ISSN 0021-9517; ISSN JCTLA5
- Country of Publication:
- United States
- Language:
- English
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