OH-Initiated Oxidation of Toluene. 2. Master Equation Simulation of Toluene Oxide Isomerization†
نویسندگان
چکیده
منابع مشابه
Deactivation kinetics of V/Ti-oxide in toluene partial oxidation
Deactivation kinetics of a V/Ti-oxide catalyst was studied in partial oxidation of toluene to benzaldehyde (BA) and benzoic acid (BAc) at 523–573 K. The catalyst consisted of 0.37 monolayer of VOx species and after oxidative pre-treatment contained isolated monomeric and polymeric metavanadate-like vanadia species under dehydrated conditions as was shown by FT Raman spectroscopy. Under the reac...
متن کاملCatalytic oxidation of airborne toluene by using copper oxide supported on a modified natural diatomite
The catalytic oxidation of toluene over copper oxide supported on natural diatomite was investigated. The catalyst was prepared by the wet impregnation method and characterized by using the Brunauer Emmett Teller (BET), field emission Scanning Electron Microscopy (FESEM), X-ray diffraction (XRD), X-ray fluorescence (XRF) and Temperature-programmed reduction (TPR) analysis. The highest catalytic ...
متن کاملCatalytic oxidation of airborne toluene by using copper oxide supported on a modified natural diatomite
The catalytic oxidation of toluene over copper oxide supported on natural diatomite was investigated. The catalyst was prepared by the wet impregnation method and characterized by using the Brunauer Emmett Teller (BET), field emission Scanning Electron Microscopy (FESEM), X-ray diffraction (XRD), X-ray fluorescence (XRF) and Temperature-programmed reduction (TPR) analysis. The highest catalytic ...
متن کاملReassessing the atmospheric oxidation mechanism of toluene.
Photochemical oxidation of aromatic hydrocarbons leads to tropospheric ozone and secondary organic aerosol (SOA) formation, with profound implications for air quality, human health, and climate. Toluene is the most abundant aromatic compound under urban environments, but its detailed chemical oxidation mechanism remains uncertain. From combined laboratory experiments and quantum chemical calcul...
متن کاملElucidating the fate of the OH-adduct in toluene oxidation under tropospheric boundary layer conditions.
Ji et al. (1) published a study examining the mechanism of the initial stages of OH-initiated oxidation of toluene. Their results challenge the mechanisms used in atmospheric chemistry models [e.g., Master Chemical Mechanism (MCM) (2)] derived from chamber experiments at atmospheric conditions, and previous experimental (3, 4) and theoretical studies (5, 6). In these mechanisms, the main produc...
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ژورنال
عنوان ژورنال: The Journal of Physical Chemistry A
سال: 2007
ISSN: 1089-5639,1520-5215
DOI: 10.1021/jp067113a