High Temperature Pyrolysis of Toluene under Electromagnetic Fields at Different Frequencies

Abstract

To investigate the influence of electromagnetic (EM) fields on toluene decomposition, ReaxFF molecular dynamics simulations have been performed. With Arrhenius analysis, it is observed that Arrhenius parameters can be influenced by EM fields, characterizing a microwave frequency selectivity. On the basis of the collision theory, it is found that the frequency selectivity is due to the perturbation of the orientation factor and collision frequency of a related reaction caused by the polarization effect of electric fields. The rotation performance of toluene dipoles has been studied under microwaves at different frequencies. The normalized amplitude of time evolution of toluene dipoles under microwave conditions is independent of microwave frequency, while the phase lag between the EM field and the time evolution increases along with the rising frequency. Compared with the condition without microwave, introducing EM fields can reduce the total population of C−C bonds and restrain carbon buildup of pyrolysis residue. Finally, a combined EM field with rotation angle of 90°was constructed. It is shown that the combined EM field introduces less influence than a conventional EM field with a rotation angle of 180°.

Simple in situ functionalization of carbon nanospheres

“…The pyrolytic decomposition of toluene has proven to yield hydrogen, methane, benzene, styrene and anthracene [29], while benzyl radical (C 6 H 5 -CH 2 •) is the main intermediate product at the initial stage of decomposition [30]. Benzyl radical is key intermediate in the formation of several products, including soot, benzene (C 6 H 6 ), methane (CH 4 ) and other low molecular weight hydrocarbons.…”

Solar Interfacial Evaporation at the Water–Energy Nexus: Bottlenecks, Approaches, and Opportunities

“…[ 63 ] Carbon materials, mainly including carbon black (CB), CNT, graphene, GO, rGO, have been gradually applied to the research and development of photothermal materials on account of their merits of low density, stable performance, no toxic or harmful, wide solar absorption range, and high plasticity. [ 64–66 ]…”

“…[63] Carbon materials, mainly including carbon black (CB), CNT, graphene, GO, rGO, have been gradually applied to the research and development of photothermal materials on account of their merits of low density, stable performance, no toxic or harmful, wide solar absorption range, and high plasticity. [64][65][66] Lu et al [67] developed a new process for the preparation of ultrahigh throughput nanoporous graphene membranes, which eliminates the need for secondary drilling and transfer processes after membrane synthesis. The resulting graphene film provides a concise and fast transport path for water vapor.…”