Kinetic Modeling Of The H2O2 Enhanced Incineration Of Heptane And Chlorobenzene
Abbreviated Journal Title
COMBUSTION; INHIBITION; MECHANISM; Engineering, Environmental; Environmental Sciences
The addition of hydrogen peroxide (H2O2) into a stream of heated air containing volatile organic compounds (VOCs), such as heptane and chlorobenzene, has been found to increase the destruction of those VOCs. Detailed kinetic models for the enhanced oxidation of heptane (44 chemical species, 144 reactions), and chlorobenzene (62 species, 212 reactions) were developed. The computer code CHEMKIN was used for the model simulations, and sensitivity analyses were performed using the code SENKIN. Additional thermodynamic data needed for the model were calculated using the group addition methods of Benson, and the computer code THERM. It was concluded that the H2O2 enhancement effect in the oxidation of heptane occurs by the thermal dissociation of the peroxide molecule, providing two OH radicals, followed by hydrogen abstraction of the heptane molecule by an OH radical. In the un-enhanced case the key reaction is the thermal dissociation of the heptane molecule into two radicals. For chlorobenzene the major VOC destruction pathway seems to be the attack of an HO2 radical to generate the phenoxy radical. The HO2 radicals are supplied by the peroxide indirectly, through OH radical attack on other H2O2 molecules, and by other downstream reactions. This is a plausible explanation for the experimental observation of the need for much higher concentrations of H2O2 with chlorobenzene than with heptane, and for the apparent delay in the destruction of chlorobenzene.
"Kinetic Modeling Of The H2O2 Enhanced Incineration Of Heptane And Chlorobenzene" (1995). Faculty Bibliography 1990s. 1410.