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Kinetics of CO x formation in the homogeneous metal/bromide‐catalyzed aerobic oxidation of p ‐xylene
Author(s) -
Sun Weizhen,
An Meiying,
Zhong Weimin,
Zhao Ling
Publication year - 2012
Publication title -
international journal of chemical kinetics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.341
H-Index - 68
eISSN - 1097-4601
pISSN - 0538-8066
DOI - 10.1002/kin.20724
Subject(s) - chemistry , catalysis , decarboxylation , bromide , acetic acid , kinetics , peroxide , aryl , chlorobenzene , metal , homogeneous , reaction rate constant , xylene , medicinal chemistry , inorganic chemistry , organic chemistry , thermodynamics , alkyl , physics , quantum mechanics , benzene
The homogeneous metal/bromide‐catalyzed aerobic oxidation of p ‐xylene with different catalyst concentrations was carried out, and the formation kinetics of CO x including CO 2 and CO was measured. The simplified elementary steps for the formation of CO x were summarized, on the basis of which the kinetic model of CO x formation was established. The model calculations were in good agreement with the experimental data for the CO 2 formation and also successfully captured the first peak of the CO formation rate as a function of time. The obtained rate constants have narrow confidence intervals, among which only k 1 and k 2 are the adjustable parameters for different catalyst conditions. The decarboxylation of the carboxyl group in aromatic acid, the oxidation of the aryl radical, and the destruction of acetic acid are the major sources of CO 2 . The formation of CO mainly results from the destruction of acetic acid and the oxidation of the aryl radical. © 2012 Wiley Periodicals, Inc. Int J Chem Kinet 44: 277–283, 2012