Beattyvinther1982

Hydrogen sulfide (H2S) leads to corrosion in transport lines and poisoning of many catalysts. Meanwhile, H2S is an inexhaustible potential source of hydrogen, which is a very valuable chemical reagent and an environmentally friendly energy product. Therefore, removal of H2S and producing hydrogen gas using potential catalysts has been intensively studied, according to the equation H2S(g) + CO(g) → COS(g) + H2(g). In this study, hydrogen sulfide (H2S) decomposition in the presence of CO over transition metal-doped ZSM-12 clusters (TM-ZSM-12) has been investigated based on DFT calculations at the B3LYP-D3/6-31G(d,p) level. The calculation results reveal that the proposed reaction mechanism is controlled by 4 key steps, (i) hydrogen dissociation (Ea1 = +0.04 eV for the 1st hydrogen and Ea2 = +0.22 eV for the 2nd hydrogen), (ii) COS desorption (the rate-determining step of this H2S removal process, Edes = +1.18 eV), (iii) hydrogen diffusion to the transition metal with an energy barrier (Ea3) of +0.62 eV, and (iv) the H2 formation step (Ea4 = +0.94 eV). Our results indicate that in the presence of CO, the Cu-ZSM-12 cluster has a potential application as a highly active catalyst for H2S removal together with hydrogen production.The in situ manufacture of cured-in-place-pipe (CIPP) plastic liners in damaged sewer pipes is an emerging mobile source of anthropogenic air pollution. learn more Evidence indicates volatile organic compounds (VOCs) can be released before, during, and after manufacture. The chemical composition of a popular uncured styrene-based CIPP resin was examined, along with the VOCs that remained in the new cured composite. The roles of curing temperature and heating time in waste discharged into the air were examined. Uncured resin contained approximately 39 wt% VOCs. Multiple hazardous air pollutants were present, however, 61 wt% of the uncured resin was not chemically identified. A substantial mass of VOCs (8.87 wt%) was emitted into the air during manufacture, and all cured composites contained about 3 wt% VOCs. Some VOCs were created during manufacture. Curing temperature (65.5-93.3 °C) and heating time (25-100 min) did not cause different composite VOC loadings. High styrene air concentrations inhibited the detection of other VOCs in air. It is estimated that tens of tons of VOCs may be emitted at a single CIPP manufacturing site. Regulators should consider monitoring, and potentially regulating, these growing mobile air pollution and volatile chemical product sources as they are operating in urban and rural areas often in close proximity to residential and commercial buildings.Collisions of He2+, Li3+ and C3+ ions with water molecules are studied at energies ranging between 20 keV u-1 and 500 keV u-1. Three methods are employed the classical trajectory Monte Carlo (CTMC), the expansion of the scattering wave function in terms of asymptotic frozen molecular orbitals (AFMO) and a lattice method to numerically solve the time-dependent Schrödinger equation (GridTDSE). Total cross sections for single ionization, single electron capture, transfer ionization and electron production are calculated and compared with previous close-coupling calculations and experiments. The fragmentation branching ratios are discussed.An Ni-Zn battery is a distinguished member in the family of closed Zn-based batteries due to its ideal power density and voltage. However, when it is employed as a power supply for electric vehicles, its defects in terms of specific capacitance and energy density become obvious. Herein, to resolve this problem, a hybrid battery system was created through a combination of Ni-Zn and Zn-air batteries at the cell level. In a hybrid battery system, oxygen vacancy rich NiO with S,N co-modified mesoporous carbon as a matrix was used as the cathode material. This cathode material showed a high specific capacitance of 202.1 mA h g-1 at 1.0 A g-1. When the current density reduces to 20 A g-1, this value decreases to 130.2 mA h g-1, which implies that 64.4% of specific capacitance was retained. It also exhibits excellent OER and ORR activities. For the hybrid battery system, when the discharge process was carried out at 1 mA cm-2, there were two voltage plateaus at 1.72 and 1.12 V, which originated from Ni-Zn and Zn-air, respectively. In this case, its specific capacitance and energy density reaches 800.3 mA h g-1 and 961 W h kg-1, respectively. The hybrid battery also possesses perfect stability during multi-cycle charge-discharge tests. The construction of this hybrid battery system develops a new road to prepare a power supply device with high performance.We report the first examples of radical cation Smiles rearrangements. A series of aryloxy alkylamines underwent spontaneous reaction, with the amino group displacing the ipso-alkoxy group through substitution, at ambient temperature and under photoactivation by visible light in the presence of an acridinium catalyst (5 mol%). The study was extended to 3-(2-methoxyphenyl)propan-1-amine derivatives, which lack an appropriate ipso leaving group. Here, efficient cyclisations resulted in displacement of the methoxy group and formation of tetrahydroquinolines.This study focuses on the effects of the substitution of a nonmagnetic ion on the structure, magnetism, and thermoelectric power of binary La0.85-xBixK0.15MnO3 (x = 0, 0.15, 0.3) manganites synthesized via a ceramic route. Structural analysis reveals a dual crystallographic phase in the system, which results due to charge disproportionation. The consequent segregation of Mn3O4 grains is revealed via field-emission scanning electron microscopy images. Magnetically, the specimens have a second-order phase transition nature, and a Curie temperature (TC) is interestingly observed at room temperature (∼300 K) in the x = 0 compound. The variation of TC is discussed in light of a combined contribution from a lacuna and the 6s2 lone pair of bismuth. The presence of a Griffiths singularity in all specimens is realized due to ferromagnetic clusters appearing in the paramagnetic matrix. The generation of Mn2+ ions due to charge disproportionation and consequent changes observed in the magnetic and thermoelectric power behaviour are discussed considering multiple hopping and direct hopping between Mn3+, Mn2+, and Mn4+ ions.