Dielectric barrier discharges （DBD） have been used in the degradation of dioxins due to the large number of excimers and free radicals produced in discharge process. In this article, the density functional theory （...Dielectric barrier discharges （DBD） have been used in the degradation of dioxins due to the large number of excimers and free radicals produced in discharge process. In this article, the density functional theory （DFT） is used to study the degradation mechanism of octachlorinated dibenzo-p-dioxin （OCDD） with the atomic oxygen O（3P） in DBD reactor. The reactants, intermediates, transition states and products are optimized at the MPWB1K/6- 31 ＋ G（d,p） level. The vibrational frequencies have been calculated at the same level. The reaction pathways and mechanisms are analyzed in detail. The effect of removing the chlorine atom on environment also has been discussed.展开更多
The experiment was carried out in a cylindrical dielectric barrier discharge（DBD）reactor assisted with a catalyst to decompose toluene under different humidity.In order to explore the synergistic effect on removing ...The experiment was carried out in a cylindrical dielectric barrier discharge（DBD）reactor assisted with a catalyst to decompose toluene under different humidity.In order to explore the synergistic effect on removing toluene in the catalysis-DBD reactor,this paper investigated the decomposition efficiency and the energy consumption in the catalysis-DBD and the non-catalyst DBD reactors under different humidity.The results showed that the catalysis-DBD reactor had a better performance than the non-catalysis one at the humidity ratio of 0.4%,and the removal efficiency of toluene could reach 88.6% in the catalysis-DBD reactor,while it was only 59.9% in the non-catalytic reactor.However,there was no significant difference in the removal efficiency of toluene between the two reactors when the humidities were 1.2% and 2.4%.Additionally,the degradation products were also analyzed in order to gain a better understanding of the mechanism of decomposing toluene in a catalysis-DBD reactor.展开更多
基金supported by the National Natural Science Foundation of China (No. 21277082, 21177076, 71201093)the Promotive Research Fund for Excellent Young and Middleaged Scientists of Shandong Province (Nos. BS2012HZ009, BS2012SF012)+2 种基金Graduate Independent Innovation Foundation of Shandong University (No. yzc12120)Program for New Century Excellent Talents in University (NCET-13-0349)Marie Curie International Research Staff Exchange Scheme Fellowship within the 7th European Community Framework Program (No. 295132)
文摘Dielectric barrier discharges （DBD） have been used in the degradation of dioxins due to the large number of excimers and free radicals produced in discharge process. In this article, the density functional theory （DFT） is used to study the degradation mechanism of octachlorinated dibenzo-p-dioxin （OCDD） with the atomic oxygen O（3P） in DBD reactor. The reactants, intermediates, transition states and products are optimized at the MPWB1K/6- 31 ＋ G（d,p） level. The vibrational frequencies have been calculated at the same level. The reaction pathways and mechanisms are analyzed in detail. The effect of removing the chlorine atom on environment also has been discussed.
基金supported by the Key Project which is sponsored by the Science and Technology Commission of Shanghai Municipality(No.13231201903)the Key Programs for Science and Technology Development sponsored by the Science and Technology Commission of Shanghai Municipality(Nos.13231201901 and 14DZ1208401)the Key Project sponsored by the State-owned Assets Supervision and Administration Commission of Shanghai,China(No.2013019)
文摘The experiment was carried out in a cylindrical dielectric barrier discharge（DBD）reactor assisted with a catalyst to decompose toluene under different humidity.In order to explore the synergistic effect on removing toluene in the catalysis-DBD reactor,this paper investigated the decomposition efficiency and the energy consumption in the catalysis-DBD and the non-catalyst DBD reactors under different humidity.The results showed that the catalysis-DBD reactor had a better performance than the non-catalysis one at the humidity ratio of 0.4%,and the removal efficiency of toluene could reach 88.6% in the catalysis-DBD reactor,while it was only 59.9% in the non-catalytic reactor.However,there was no significant difference in the removal efficiency of toluene between the two reactors when the humidities were 1.2% and 2.4%.Additionally,the degradation products were also analyzed in order to gain a better understanding of the mechanism of decomposing toluene in a catalysis-DBD reactor.
