Enhanced volatile organic compound combustion by hydrogen peroxide: kinetic modelling
Abstract
The addition of hydrogen peroxide (H202) 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 incineration of heptane (44 chemical species, 144 reactions), and chlorobenzene (62 species, 212 reactions) were developed. The computer code CHEMKlN was used for the model simulations, and sensitivity analyses were performed using the SENKIN code. Ádditional thermodynamic data needed for the model were calculated using the group addition method of Benson, and the computer code THERM. lt was concluded that the H202 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 the OH• radicals. In the unenhanced 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 H02• to generaie the phenoxy radical. The H02• radicals are indirectly supplied by the peroxide through OH• radical attack on other H202 molecules, and by other downstream reactions. This is a plausible explanation for the experimental obsevation of the need of much higher concentrations of H202 with chlorobenzene than with heptane, and for the apparent delay in the destruction of chlorobenzene.
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