Kinetic modeling of benzene and toluene decomposition in air and in flue gas under electron beam irradiation

Computer simulations of benzene and toluene decomposition in air (79% N2+21% O2) and in flue gas (87% N2+10% O2+3% H2O+160 ppm SO2+80 ppm NO) under electron beam (EB) irradiation were carried out using computer code KINETIC and GEAR method. 285 reactions involving 73 species and 294 reactions involving 78 species were considered for simulation of benzene and toluene decomposition, respectively. Calculation results of benzene and toluene decomposition in air under electron beam agree well with the published experimental results. OH radicals play a main role in benzene or toluene decomposition.

► Benzene/toluene decompositions under electron beam irradiation were simulated. ► Computer code KINETIC and GEAR method were used. ► By-products of benzene/toluene decomposition under EB irradiation were predicted.