Catalytic conversion and DFT analysis of post DDBD-catalysis system for degradation of toluene,ethyl acetate and acetone with different metal-oxides catalysts  

作　　者：Xin Liu Jianqi Liu Jiayao Chen Fangchuan Zhong 

机构地区：[1]College of Environmental Science and Engineering,Donghua University,Shanghai 201620,China [2]College of Science,Donghua University,Shanghai 201620,China [3]Member of Magnetic Confinement Fusion Research Centre,Ministry of Education,Shanghai 201620,China

出　　处：《Journal of Rare Earths》2023年第2期215-223,共9页稀土学报（英文版）

基　　金：Project supported by the Fundamental Research Funds for the Central Universities(2232021G-10)。

摘　　要：A series of multiphase metal-oxide catalysts(MnOx/γ-Al_(2)O_(3),CuOx/γ-Al_(2)O_(3),FeO_(x/γ)-Al_(2)O_(3),CeO_(x)/γ-Al_(2)O_(3)and LaOx/γ-Al_(2)O_(3))were prepared for plasma-catalyst degradation of multicomponent volatile organic compounds(VOCs,such as toluene,acetone and ethyl acetate).The results reveal that the degradation efficiency(DE)of acetone,toluene and ethyl acetate in the DDBD system can be arranged as follows:Mn_(2)O_(3)/γ-Al_(2)O_(3)>Fe2O3/γ-Al_(2)O_(3)>CuO_(/γ)-Al_(2)O_(3)>CeO_(2)/γ-Al_(2)O_(3)>La_(2)O_(3)/γ-Al_(2)O_(3)>γ-Al_(2)O_(3),and the highest DE(49.5%for acetone,93.3%for toluene and 79.8%for ethyl acetate)is obtained in Mn_(2)O_(3)/γ-Al_(2)O_(3)+double dielectric barrier discharge(DDBD)system at specific input energy(SIE)of 700 J/L.Compared with the other catalysts,Mn_(2)O_(3)/γ-Al_(2)O_(3)also exhibits the most significant inhibitory effect on the production of ozone(O3).On the other hand,CeO_(2)/γ-Al_(2)O_(3)and La_(2)O_(3)/γ-Al_(2)O_(3)catalysts display different catalytic selectivity.Both catalysts can slightly raise the DE of VOCs and remarkably facilitate VOCs’mineralization.The carbon balance(CB)is increased by 30.2%and 38.8%,and the CO_(2)selectivity(SCO_(2))is raised by 70.5%and 11.9%in the CeO_(2)/γ-Al_(2)O_(3)+DDBD system and La_(2)O_(3)/γ-Al_(2)O_(3)+DDBD system at SIE of 700 J/L,respectively.To further understand the catalytic effect of the catalysts,the adsorption of O3on different catalysts was simulated by a DFT model.According to the results of the DFT model,it is found that the adsorption energy of other metal oxides seems to be used as a reference for catalytic effect to a certain extent except CeO_(2).The higher the absolute values of adsorption energy,the higher the improvement of VOCs degradation efficiency by catalyst.

关 键 词：Multiphase metal-oxide catalysts Plasma-catalyst Multicomponent volatile organic compounds Rare earths 

分 类 号：TQ426[化学工程]