A ternary composite of TiO2 and a SiO2-Al2O3 aerogel with good photocatalytic activity was prepared by a simple sol-gel method with TiO2 nanoparticles and SiO2-Al2O3 aerogels derived from industrial fly ash.The struct...A ternary composite of TiO2 and a SiO2-Al2O3 aerogel with good photocatalytic activity was prepared by a simple sol-gel method with TiO2 nanoparticles and SiO2-Al2O3 aerogels derived from industrial fly ash.The structural features of the TiO2/SiO2-Al2O3 aerogel composite were investigated by X-ray powder diffraction,Fourier transform infrared spectroscopy,transmission electron microscopy,gas adsorption measurements and diffuse reflectance UV-visible spectroscopy.The optimal conditions for photocatalytic degradation of 2-sec-butyl-4,6-dinitrophenol（DNBP],included an initial DNBP concentration of 0.167 mmol/L at pH = 4.86 with a catalyst concentration of 6 g/L,under visible light irradiation for 5 h.A plausible mechanism is proposed for the photocatalytic degradation of DNBP.Our composite showed higher photocatalytic activity for DNBP degradation than that of pure TiO2.This indicates that this material can serve as an efficient photocatalyst for degradation of hazardous organic pollutants in wastewater.展开更多
Electrolytic reduction is a crucial process during the pyroprocessing of oxide spent fuel.This paper investigates the effects of different concentrations of Li_(2)O on the properties of the LiCl^(-)UCl_(3)-Li_(2)O mol...Electrolytic reduction is a crucial process during the pyroprocessing of oxide spent fuel.This paper investigates the effects of different concentrations of Li_(2)O on the properties of the LiCl^(-)UCl_(3)-Li_(2)O molten salt system during electrolytic reduction using first-principles molecular dynamics simulations.The study reveals that increasing Li_(2)O concentration lowers the ion diffusion coefficients of Li^(+),Cl^(-),and O^(2-)in the electrolyte,which has negative effect on the transport property of the system.A thorough analysis of the ligand structures formed by various components in the molten salt was conducted,including radial distribution functions and angular distribution functions.The analysis reveals that oxygen ions compete with chloride ions for coordination with cations.This competitive interaction has a significant impact on the coordination between Li-Cl and U-Cl elements,thereby influencing the microstructure.The analysis of electronic structures shows that the addition of Li_(2)O affects the charge transfer among lithium,uranium,and chlorine,impacting the bond strength between anions and cations.Finally,the calculation of redox potential shows that an appropriate concentration of Li_(2)O is beneficial to the electrochemical reduction process.The research results provide a theoretical basis for the design of molten salts in the electrolytic reduction process.展开更多
基金supported by the National Natural Science Foundation of China(21377018)the Natural Science Foundation of Liaoning Province of China(2013020116)the Fundamental Research Funds for the Central Universities(DUT15ZD240)~~
文摘A ternary composite of TiO2 and a SiO2-Al2O3 aerogel with good photocatalytic activity was prepared by a simple sol-gel method with TiO2 nanoparticles and SiO2-Al2O3 aerogels derived from industrial fly ash.The structural features of the TiO2/SiO2-Al2O3 aerogel composite were investigated by X-ray powder diffraction,Fourier transform infrared spectroscopy,transmission electron microscopy,gas adsorption measurements and diffuse reflectance UV-visible spectroscopy.The optimal conditions for photocatalytic degradation of 2-sec-butyl-4,6-dinitrophenol（DNBP],included an initial DNBP concentration of 0.167 mmol/L at pH = 4.86 with a catalyst concentration of 6 g/L,under visible light irradiation for 5 h.A plausible mechanism is proposed for the photocatalytic degradation of DNBP.Our composite showed higher photocatalytic activity for DNBP degradation than that of pure TiO2.This indicates that this material can serve as an efficient photocatalyst for degradation of hazardous organic pollutants in wastewater.
基金financial support provided by the National Natural Science Foundation of China(22476130 and 12205190)。
文摘Electrolytic reduction is a crucial process during the pyroprocessing of oxide spent fuel.This paper investigates the effects of different concentrations of Li_(2)O on the properties of the LiCl^(-)UCl_(3)-Li_(2)O molten salt system during electrolytic reduction using first-principles molecular dynamics simulations.The study reveals that increasing Li_(2)O concentration lowers the ion diffusion coefficients of Li^(+),Cl^(-),and O^(2-)in the electrolyte,which has negative effect on the transport property of the system.A thorough analysis of the ligand structures formed by various components in the molten salt was conducted,including radial distribution functions and angular distribution functions.The analysis reveals that oxygen ions compete with chloride ions for coordination with cations.This competitive interaction has a significant impact on the coordination between Li-Cl and U-Cl elements,thereby influencing the microstructure.The analysis of electronic structures shows that the addition of Li_(2)O affects the charge transfer among lithium,uranium,and chlorine,impacting the bond strength between anions and cations.Finally,the calculation of redox potential shows that an appropriate concentration of Li_(2)O is beneficial to the electrochemical reduction process.The research results provide a theoretical basis for the design of molten salts in the electrolytic reduction process.
