High Temperature Pyrolysis of Toluene under Electromagnetic Fields at Different Frequencies
作者： Yi-Ming Zhang , Jia-Lin Li , Jian-Peng Wang , Bing-Zhong Wang
DOI: 10.1021/ACSSUSCHEMENG.6B00617
关键词: Microwave 、 Collision frequency 、 Electromagnetic field 、 ReaxFF 、 Arrhenius equation 、 Collision theory 、 Chemistry 、 Amplitude 、 Molecular physics 、 Analytical chemistry 、 Electric field
摘要: 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 parameters can be influenced by EM fields, characterizing a microwave frequency selectivity. On basis collision theory, found selectivity due to perturbation orientation factor and related reaction caused polarization effect electric fields. The rotation performance dipoles has studied under microwaves at different frequencies. normalized amplitude time evolution conditions independent frequency, while phase lag between field increases along with rising frequency. Compared condition without microwave, introducing reduce total population C–C bonds restrain carbon buildup pyrolysis...
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