A novel VO2/g‐C3N4 Z‐Scheme type heterostructure composite photocatalyst was fabricated by the ultrasonic‐assisted method. The newly synthesized photocatalyst has been systematically and comprehensively characterized and analyzed. Through the selective oxidation of DL‐1‐Phenylethyl alcohol under Vis‐LED irradiation and aerobic oxidation, the photocatalytic performance of VO2/g‐C3N4 photocatalyst was investigated. The results showed that the prepared VO2/g‐C3N4 nanocomposites exhibited excellent photocatalytic oxidation performance. Among them, the highest turnover frequency (TOF) was 0.42 mmol (DL‐1‐Phenylethyl alcohol)⋅mmol−1 (catalyst)⋅h−1, which was 5 times higher than the TOF of the original g‐C3N4. The effects of different wavelengths of LED monochromatic light, the composite ratio of VO2 and g‐C3N4, the reaction time, and the different benzyl alcohol substrates were studied. Also, catalyst life test was completed. Furthermore, a persuasive mechanism of photocatalytic selective oxidation of DL‐1‐Phenylethyl alcohol on VO2/g‐C3N4 photocatalyst was proposed through EPR and radical trapping experiments.
The equation of states (EOS) that correlates the pressure, volume and temperature (PVT) of detonation products is indispensable in the numerical modeling of blasting performances of energetic materials. Based on extensive molecular dynamics simulations on the mixtures of CO2, H2O, N2, CO and H2, which are the main components of detonation products of cyclotetramethylene tetranitramine (HMX), the relation of pressure with density, temperature and composition is derived in the range of 1.4–2.2 g/cm3 for density, 3000–4400 K for temperature and 8–40 GPa for pressure. The proposed EOS exhibits good general applicability under the studied conditions and reasonable agreement with the experimentally established Becker–Kistiakowsky–Wilson (BKW) equation. Although several approximations are applied in the computations and some deviations remains, it suggests an effective and feasible approach to establish the EOS for detonation products of energetic materials by means of molecular modeling.
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.