Non-Stacked γ-Fe2O3/C@TiO2 Double-Layer Hollow Nanoparticles for Enhanced Photocatalytic Applications under Visible Light

Herein, a non-stacked γ-Fe2O3/C@TiO2 double-layer hollow nano photocatalyst has been developed with ultrathin nanosheets-assembled double shells for photodegradation phenol. High catalytic performance was found that the phenol could be completely degraded in 135 min under visible light, due to the moderate band edge position (VB at 0.59 eV and CB at −0.66 eV) of the non-stacked γ-Fe2O3/C@TiO2, which can expand the excitation wavelength range into the visible light region and produce a high concentration of free radicals (such as ·OH, ·O2−, holes). Furthermore, the interior of the hollow composite γ-Fe2O3 is responsible for charge generation, and the carbon matrix facilitates charge transfer to the external TiO2 shell. This overlap improved the selection/utilization efficiency, while the unique non-stacked double-layered structure inhibited initial charge recombination over the photocatalysts. This work provides new approaches for photocatalytic applications with γ-Fe2O3/C-based materials.

Supercell thunderstorm charge structure variability and influences on spatial lightning flash relationships with the updraft

Relationships between lightning flashes and thunderstorm kinematics and microphysics are important for applications such as nowcasting of convective intensity. These relationships are influenced by cloud electrification structures and have been shown to vary in anomalously electrified thunderstorms. This study addresses transitional relationships between active charge structure and lightning flash location in the context of kinematic and microphysical updraft characteristics during the development of an anomalously electrified supercell thunderstorm in the Tennessee Valley on 10 April 2009. The initial charge structure within the updraft was characterized as an anomalous dipole in which positive charge was inferred in regions of precipitation ice (i.e., graupel and hail) and negative charge was inferred in regions of cloud ice (i.e., aggregates and ice crystals). During subsequent development of the anomalous charge structure, additional minor charge layers as well as evidence of increasing horizontal complexity were observed. Microphysical and kinematic characteristics of the charge structure also evolved to include increasing observations of negative charge in precipitation ice regions, indicating the emergence of more prominent normal charging alongside dominant anomalous charging. Simultaneously, lightning flash initiation locations were also increasingly observed in regions of faster updrafts and stronger horizontal gradients in updraft speed. It is suggested that continuous variability in charging behavior over meso-gamma spatial scales influenced the evolution of lightning flash locations with respect to the updraft structure. Further work is necessary to determine how this variability may impact lightning flash relation-ships, including lightning flash rate, with bulk microphysical and kinematic characteristics and related applications.

Lead Recovery from a Lead Concentrate throughout Direct Smelting Reduction Process with Mixtures of Na2CO3 and SiC to 1000 °C

Lead was recovered through a direct smelting reduction route from a lead concentrate by using mixtures of Na2CO3 and SiC to 1000 °C. The lead concentrate was obtained from the mining State of Zacatecas, México by traditional mineral processing and froth flotation. The experimental trials showed that 86 wt.% of lead with a purity up to 97% can be recovered from the lead concentrate by a single step reduction process when 40 wt.% Na2CO3 and 0.4 g SiC were used in the initial charge. The process was modeled in the thermodynamic software FactSage 7.3 to evaluate the effect of adding different amounts of Na2CO3 on the lead recovery rates while holding constant the SiC amount and temperature. The stability phase diagram obtained showed that an addition of 34 wt.% Na2CO3 was enough to reach the highest lead recovery. It was observed that the interaction of Na2CO3 and SiC at a high temperature promotes the formation of C and Na2O, and SiO2, respectively, where the Na2O partially bonds with silica and sulfur forming Na2S and sodium silicates which may decrease the SO2 emissions and increase the weather degradation of the slag. The PbS was mainly reduced by the produced C and CO formed by the interaction between Na2CO3 and SiC at 1000 °C. The predicted results reasonably match with those obtained experimentally in the lead recovery rates and compounds formation.

PERICLASE-SPINEL REFRACTORY MODIFIED ТІО2

Over the past decades, the development and improvement of refractory materials for lining high-temperature zones of rotary kilns continues. The main requirements for refractory products for lining rotary kilns for cement clinker roasting are: high density and ultimate compressive strength, low porosity and gas permeability, increased abrasion resistance, low thermal conductivity, high corrosion resistance and the ability to form a protective layer.Today, the main goal of modern researchers is to create a heat-resistant refractory with a flexible structure that ensures its integrity at high temperatures and mechanical loads, which have the ability to form a protective coating layer. In this work, a technological approach has been tested for introducing a vibro-milled modifier (briquette based on a high-alumina component and a titanium-containing additive) into the composition of the raw charge for periclase-spinel refractory in the form of a pre-synthesized product containing crystalline phases of the Al2O3 – TiO2 – FeO system. The basis for the production of periclase-spinel refractories modified with TiO2 is the four-component system MgO – Al2O3 – FeO – TiO2, on the basis of thermodynamic calculations of which the content of individual components of the charge was selected and the operational characteristics were predicted. The interrelation of physical and mechanical properties with the content of individual components in the initial charge warehouses is shown, and the directions of solid-phase processes with their participation are noted. The features of the microstructure of the sample material are noted in relation to the formation of an optimal set of properties. It is shown that the nature of the organization of micropores is favorable for increasing the thermal stability of the material, which complements the phase adaptation mechanism also with the structural effect of damping mechanical stresses during thermal cycling.

Spin Orbit Coupling in Orthogonal Charge Transfer States: (TD-)DFT of Pyrene - Dimethylaniline

The conformational dependence of the matrix element for spin-orbit coupling and of the electronic coupling for charge separation are determined for an electron donor-acceptor system containing a pyrene acceptor and a dimethylaniline donor. Different kinetic and energetic aspects that play a role in the spin-orbit charge transfer intersystem crossing (SOCT-ISC) mechanism are discussed. This includes parameters related to initial charge separation and the charge recombination pathways using the (Semi-Classical) Marcus Theory for electron transfer. The spin-orbit coupling, which plays a significant role in charge recombination to the triplet state can be probed by (TD-)DFT, using the latter as a tool to understand and predict the SOCT-ISC mechanism. The matrix elements for spin-orbit coupling for acetone and 4-thio-thymine are used for benchmarking. (Time Dependent-) Density Functional Theory (DFT and TD-DFT) calculations are applied using the quantum chemical program Amsterdam Density Functional (ADF).

Spin Orbit Coupling in Orthogonal Charge Transfer States: (TD-)DFT of Pyrene - Dimethylaniline

The conformational dependence of the matrix element for spin-orbit coupling and of the electronic coupling for charge separation are determined for an electron donor-acceptor system containing a pyrene acceptor and a dimethylaniline donor. Different kinetic and energetic aspects that play a role in the spin-orbit charge transfer intersystem crossing (SOCT-ISC) mechanism are discussed. This includes parameters related to initial charge separation and the charge recombination pathways using the (Semi-Classical) Marcus Theory for electron transfer. The spin-orbit coupling, which plays a significant role in charge recombination to the triplet state can be probed by (TD-)DFT, using the latter as a tool to understand and predict the SOCT-ISC mechanism. The matrix elements for spin-orbit coupling for acetone and 4-thio-thymine are used for benchmarking. (Time Dependent-) Density Functional Theory (DFT and TD-DFT) calculations are applied using the quantum chemical program Amsterdam Density Functional (ADF).

Preparation by SHS-extrusion method of compact ceramic materials based on the Ti‒B system, modified with nanosized Si3N4 particles

Compact ceramic materials based on the Ti‒B system modified with 5 wt. % of nanosized Si3N4 particles. The results of studies of the structure, phase composition, and physical and mechanical characteristics of the materials obtained are presented. It is shown that the addition of Si3N4 promotes the formation of new phases, in particular, titanium diboride and nitride in the final product. It was found that the introduction of modifying nanosized Si3N4 particles into the initial charge leads to an increase in hardness and microhardness by 15‒20 %, as well as to an increase in crack resistance by 1,5 times in comparison with unmodified samples.

On possibility of using silicomanganese slag and ladle electric steelmaking slag in manufacture of welding fluxes

Analysis of the existing trends in development of technologies for production of welding and surfacing fluxes showed that one of the actively developing areas is the production of fluxes using man-made waste (including metallurgical one) as components of the initial charge. This is due to the fact that the slag waste of metallurgical production contains a large amount of manganese and silicon, which in turn are the basis in welding fluxes. Within the framework of this direction development, the article describes principal possibility and efficiency of using materials based on ladle electric steelmaking slag from JSC “EVRAZ United West Siberian Metallurgical Combine” and slag produced by silicomanganese from LLC “West Siberian Electrometallurgical Plant” in the charge for production of fluxes used in the surfacing of rolling rolls. All the laboratory tests were made using the equipment of the scientific and production center “Welding Processes and Technologies”. For surfacing steel samples, the authors used a flux additive obtained by mixing ladle electric steelmaking slag of a fraction less than 0.2 mm with liquid sodium glass in a ratio of 62 and 38 %. The resulting flux additive was mixed with slag from the production of silicomanganese of a fraction of 0.45 - 2.50 mm in various ratios. Studies of the chemical composition (by the spectral method) and metallographic studies of the deposited layer revealed a tendency to an increase in sulfur content and in contamination with non-metallic inclusions in it with an increase in content of the flux additive in the charge of more than 20 %. According to the results of visual quality control of the deposited layer macrostructure, the absence of defects was established with a flux additive content of up to 30 %.

Synthesis and structural characterization of Fe1-xMexBO3 (Me = Al, Sc) single crystals

Fe1-xMexBO3 (Me = Al, Sc) single crystals have been synthesized by flux growth technique using B2O3-PbO-PbF2 solvent and approach of identical synthesis conditions. The contents of the diamagnetic ions Me in the initial charge of both compositions were equal, xcharge=0.05. The exact contents and crystal lattice parameters of the synthesized crystals were determined by X-ray fluorescence analysis and X-ray diffraction, respectively.