Yunhua Zhang, Yaoxin Xu, Sen Zheng, Diming Lou, Liang Fang
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引用次数: 0
Abstract
The catalytic diesel particulate filter (CDPF) has consistently been a standard setup for diesel engines. This research introduces and enhances a non-noble metal catalyst, Cs-V, by doping with the rare-earth element La for the CDPF. The impact of La doping on the Cs-V-based soot oxidation catalyst was quantitatively studied using physical and chemical analysis, activity testing, and density functional theory (DFT) techniques. Findings indicated that introducing La into the Cs-V-based non-noble metal catalyst led to an increase in both the surface area and pore volume by 41 % and 18.4 %, respectively. The addition of La enhanced both the clustering and spatial distribution of catalyst particles, positively impacting absorption and catalytic activity. Doping with La significantly increased the chances of oxygen adsorption and dissociation activation in catalytic processes, enhancing the chance of soot-oxidation, lowering the activation energy to 62.1 kJ/mol, and decreasing T10(the temperature at which the conversion rate of soot begins to reach 10 %), T90(the temperature at which the conversion rate of soot reaches 90 %), and, Tm(the peak temperature at which the conversion rate of soot reaches) by 70.2 °C, 66.9 °C, and 69.1 °C respectively in contrast to their un-doped counterparts, while concurrently, La doping led to an average 4.5 % boost in the CDPF regeneration effectiveness. DFT simulation indicated that La doping can weaken the bonding between O atoms, lengthen the bond length between V atoms and solid Oasd within the crystal cell, shorten the bond length between V atoms and solid Oasd with C4 molecules, increase the electronegativity of the configuration Oasd, and make the chemical bonds formed by V*-O* more inclined towards ionic bonds, these changes promote the desorption of -COx groups during soot-oxidation.
期刊介绍:
Molecular Catalysis publishes full papers that are original, rigorous, and scholarly contributions examining the molecular and atomic aspects of catalytic activation and reaction mechanisms. The fields covered are:
Heterogeneous catalysis including immobilized molecular catalysts
Homogeneous catalysis including organocatalysis, organometallic catalysis and biocatalysis
Photo- and electrochemistry
Theoretical aspects of catalysis analyzed by computational methods