Effects of SiC amount on phase compositions and properties of Ti_3SiC_2-based composites

The phase compositions and properties of Ti3SiC2-based composites with SiC addition of 5%-30% in mass fraction fabricated by in-situ reaction and hot pressing sintering were studied. SiC addition effectively prevented TiC synthesis but facilitated SiC synthesis. The Ti3SiC2/Ti C-SiC composite had better oxidation resistance when SiC added quantity reached 20% but poorer oxidation resistance with SiC addition under 15% than Ti3SiC2/TiC composite at higher temperatures. There were more than half of the original SiC and a few Ti3SiC2 remaining in Ti3SiC2/Ti C-SiC with 20% SiC addition, but all constituents in Ti3Si2/TiC composite were oxidized after 12 h in air at 1500 °C. The oxidation scale thickness of TS30, 1505.78 μm, was near a half of that of T,2715 μm, at 1500 °C for 20 h. Ti3SiC2/Ti C composite had a flexural strength of 474 MPa, which was surpassed by Ti3SiC2/TiC-SiC composites when SiC added amount reached 15%. The strength reached the peak of 518 MPa at 20% SiC added amount.

Mechanism and kinetic properties of NO_3-initiated atmospheric degradation of DDT

In this article, the NO3 radical-initiated atmospheric oxidation degradation of DDT was theoretically investigated using molecular orbital theory calculations. All the calculations of intermediates, transition states and products were performed at the MPWB1K/6-311＋G（3df,2p）//MPWB1K/6- 31＋G（d,p） level of theory. Several energetically favorable reaction pathways were revealed. The formation mechanisms of secondary pollutants were presented and discussed. The rate constants were deduced over the temperature range of 273-333 K using canonical variational transition-state （CVT） theory with the small curvature tunneling （SCT） method. Our study shows that H abstraction from the alkyl group and NO3 addition to the Ca atom of the benzene ring are the dominant reaction pathways. The rate-temperature formula of the overall rate constants is k（T）（DDT＋NO3） = （7.21 ~ 10-15）exp（-153.81/T） cm3/（mol.sec） over the possible atmospheric temperature range of 273-333 K. The atmospheric lifetime of DDT determined by NO3 radical is about 52.5 days, which indicates that it can be degraded in the gas phase within several months.

Layered sphere-shaped TiO_2 capped with gold nanoparticles on structural defects and their catalysis of formaldehyde oxidation

We describe here a one-step method for the synthesis of Au/TiO2 nanosphere materials,which were formed by layered deposition of multiple anatase TiO2 nanosheets.The Au nanoparticles were stabilized by structural defects in each TiO2 nanosheet,including crystal steps and edges,thereby fixing the Au-TiO2 perimeter interface.Reactant transfer occurred along the gaps between these TiO2 nanosheet layers and in contact with catalytically active sites at the Au-TiO2 interface.The doped Au induced the formation of oxygen vacancies in the Au-TiO2 interface.Such vacancies are essential for generating active oxygen species（-＊O^-） on the TiO2 surface and Ti^3＋ ions in bulk TiO2.These ions can then form Ti^3＋-O^--Ti^4＋species,which are known to enhance the catalytic activity of formaldehyde（HCHO） oxidation.These studies on structural and oxygen vacancy defects in Au/TiO2 samples provide a theoretical foundation for the catalytic mechanism of HCHO oxidation on oxide-supported Au materials.