Dual-frequency ultrasonic assisted photocatalysis (DUAP) was proposed to enhance the degradation efficiency of methylene blue (MB) solution. The influence of operational parameters, i.e., irradiation time, ultrasonic arrangement, TiO(2) concentration and power density, was studied. The results implied that the rapid degradation of MB solution was achieved in 18 min under DUAP with the dual frequencies of 20/40 kHz. Kinetic investigation of MB degradation for the DUAP process was conducted on the basis of first-order kinetic equation and the synergistic effect was assessed by examination of the apparent rate constant. The effect of ultrasonic arrangement was analyzed by comparison of the pressure amplitude of ultrasonic superposition field. The evolvement of intermediate products and the role of active species during DUAP were distinguished by UV-Vis spectra and the free radical scavenging experiment.
The crystal structure models of three kinds of different Al(OH)3 crystals, which are gibbsite, bayerite and nordstradite, are built respectively according to the corresponding experimental crystal lattice. Geometry optimizations are implemented by CASTEP program module using general gradient approximation (GGA) and local density approximation (LDA) methods respectively based on density functional theory (DFT). Total energy, electronic structure, atomic and bond populations are also calculated. The calculation results of total energy indicate that gibbsite is steadier than the other two from the point of view of energy, and the effect of basis set of GGA-PW91 is highest. At the same time, energy bond structure and density of states calculated at GGA-PW91 and LDA-CA-PZ levels show that the different of energy gap ΔE (ELUMO-EHOMO) at the first group of BZ is not obvious, and that the highest value of ΔE of gibbsite is more lower than the other two Al(OH)3 crystals. It may be likely to say that gibbsite may be more active than the other two crystals. According to the analysis of populations, it can be found that bond populations value of H-O and Al-O bonds of gibbsite is smallest in three different Al(OH)3 crystals, it is to say that the combination force of H-O and Al-O bonds of gibbsite is smallest and gibbsite may be more easier to be calcined theoretically.
scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.