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International Journal of Chemical Reactor Engineering

Ed. by de Lasa, Hugo / Xu, Charles Chunbao

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IMPACT FACTOR 2016: 0.623
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CiteScore 2017: 0.86

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1542-6580
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A Kinetic Model for Toluene Oxidation Comprising Benzylperoxy Benzoate Ester as Reactive Intermediate in the Formation of Benzaldehyde

J.A.A. Hoorn / P.L. Alsters / G.F. Versteeg
Published Online: 2005-05-30 | DOI: https://doi.org/10.2202/1542-6580.1196

During the oxidation of toluene under semibatch conditions, the formation of benzyl alcohol is initially equal to the rate of formation of benzaldehyde. As the overall conversion increases the benzyl alcohol concentration at first decreases much faster than benzaldehyde, but this decrease slows down causing the benzyl alcohol concentration to reduce to zero only very slowly. To account for this phenomenon a new reaction pathway has been proposed where the formation of benzaldehyde out of benzylhydroperoxide is catalysed by benzoic acid. Incorporation of this new reaction in a model improves the description of benzyl alcohol concentration prophiles while maintaining good predictions for benzaldehyde and benzoic acid.

Keywords: benzoic acid; autoclave; radicals; network; mechanism

About the article

Published Online: 2005-05-30


Citation Information: International Journal of Chemical Reactor Engineering, Volume 3, Issue 1, ISSN (Online) 1542-6580, DOI: https://doi.org/10.2202/1542-6580.1196.

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