Search Results (64)

Anthropogenic activity seriously damages the environment. Cadmium, lead, and thallium are toxic elements that are especially hazardous for nature. In polluted air, they are present in the form of microparticles 2–3 μm in size and belong to the PM_2.5 fraction. Such particles can be transported over long distances, penetrate into water and dissolve, and then enter the food chain. This poses a severe threat to human and animal health due to the bioaccumulation of metals. Therefore, it is important to study the properties of toxic metals of this size. In this work, we developed a radiation–chemical method for obtaining microparticles of cadmium, lead, and thallium corresponding to the PM_2.5 fraction and studied their properties in aqueous solutions. In the absence of oxygen, the metals do not dissolve. Over time, they agglomerate and settle. When exposed to air, the particles quickly dissolve in water, usually within a few minutes. This process involves the disappearance of small particles and a decrease in the size of larger ones. The rate of dissolution increases in the Pb-Cd-Tl series. Cadmium dissolves approximately 4–5 times faster than lead, and thallium more than 10 times faster. Acidification of water accelerates this process. Studying the properties of microparticles of heavy metals is important for assessing their migration in the environment, health risks, and developing methods for preventing pollution. Full article

A key issue with lead-cooled fast reactors is the corrosion vulnerability of fuel cladding and core components, which will endanger the structural materials’ integrity and the operational safety of the reactor system. The FeCrAlTi-ODS (Oxide Dispersion Strengthened) alloy coatings are prepared by the Magnetron Sputtering technique under different bias voltages to shield structural elements in lead-cooled fast reactors from corrosion caused by lead-bismuth eutectic (LBE). A comprehensive study examines their mechanical attributes and resistance to LBE-induced corrosion. Compared to the bare substrate of austenitic 316L steel, the FeCrAlTi-ODS alloy coatings exhibit significantly improved binding force and hardness. The hardness (H) reaches 11.52 GPa (twice that of the bare substrate), and the elastic modulus (E) reaches 172.89 GPa. After the corrosion of bare substrate 316L steel by LBE, the oxygen element penetrated was obvious, and the Nickel element underwent selective migration. The FeCrAlTi-ODS alloy coatings show promising LBE corrosion resistance, and the FeCrAlTi-ODS alloy coating prepared under different bias can effectively protect the substrate material, which is attributed to the formation of protective FeCr₂O₄ film on the surface. The compact oxide film significantly prevents the further infiltration of the oxygen element and the migration of metal elements. Full article

The characteristics of interlayer oxidation zones constrain sandstone-type uranium mineralization. This study conducted a quantitative characterization of the interlayer oxidation zones in the uranium-bearing reservoir of the Saihan Formation in the central Wulanchabu Subbasin of the Erlian Basin through sand dispersion system mapping, the analysis of sedimentary debris components, environmentally sensitive parameters, and elemental geochemical characteristics. The formation mechanisms and controlling factors of interlayer oxidation zones were investigated, along with uranium mineralization patterns. Research findings reveal that the sandbodies in the study area primarily consist of red sandstone, yellow sandstone, gray ore-bearing sandstone, and primary gray sandstone, representing strong oxidation zones, weak oxidation zones, transitional zones, and reduction zones, respectively. Although the mineral debris content shows minimal variation among different zones, feldspar dissolution is more prevalent in oxidized zones. During interlayer oxidation, environmentally sensitive parameters exhibit an ascending trend from strong oxidation zones through weak oxidation zones and reduction zones to mineralized transitional zones. Four transition metal elements (Co, Ni, Zn, and Mo) demonstrate enrichment in mineralized transitional zones. The development of interlayer oxidation zones is directly controlled by reservoir heterogeneity and sedimentary environments. Oxidation subzones primarily occur in sandbodies with moderate thickness (40–80 m), sand content ratios of 40%–80%, and 2–10 or 10–18 mudstone barriers (approximately 20 m thick), mainly in braided river channels and channel margin deposits. Reduction zones develop in thicker sandbodies (~100 m) with higher sand contents (~80%), fewer mudstone barriers (2–8 layers), greater thickness (40–80 m), and predominantly channel margin deposits. Transitional zones mainly occur in braided distributary channels and floodplain deposits. When oxygen-bearing uranium fluids infiltrate reservoirs, oxygen reacts with reductants like organic matter, whereFe²⁺ oxidizes to Fe³⁺, S²⁻ reacts with oxygen, and U⁴⁺ oxidizes to U⁶⁺, migrating as uranyl complexes. As oxygen depletes, Fe³⁺ reduces to Fe²⁺, combining with S²⁻ to form pyrite between mineral grains. Uranyl complexes reduce to precipitate as pitchblende, while some U⁴⁺ reacts with SiO₄⁴⁻, forming coffinite, occurring as colloids around quartz debris or pyrite. The concurrent enrichment of certain transition metal elements occurs during this process. Full article

The development of fast-charging lithium-ion batteries urgently requires high-performance anode materials. In this paper, through an ultrafast carbothermal shock (CTS) strategy, titanium niobium oxide (TiNb₂O₇, TNO) with an optimized structure was successfully synthesized within 30 s. By regulating the synthesis temperature to 1200 °C, the TNO-1200 material was obtained. Its lattice parameters (a-axis: 17.6869 Å) and unit-cell volume (796.83 ų) were significantly expanded compared to the standard structure (a-axis: 17.51 Å, volume ~790 ų), which widened the lithium-ion migration channels. Rietveld refinement and atomic position analysis indicated that the partial overlap of Ti/Nb atoms and the cooperative displacement of oxygen atoms induced by CTS reduced the lithium-ion diffusion energy barrier. Meanwhile, the cation disorder suppressed the polarization effect. Electrochemical tests showed that after 3000 cycles at a current density of 10 C, the specific capacity of TNO-1200 reached 125 mAh/g, with a capacity retention rate of 98%. EDS mapping confirmed the uniform distribution of elements and the absence of impurity phases. This study provides an efficient synthesis strategy and theoretical basis for the design of high-performance fast-charging battery materials through atomic-scale structural engineering. Full article

Zirconium monoxide (ZrO) plays a key role in the water-side corrosion resistance of Zr alloys as cladding materials in nuclear reactors. This study investigates the behavior of intrinsic defects in ZrO through first-principles calculations, and the influence of main alloying elements (Cr, Fe, Nb and Sn) is also evaluated. We focus on the formation and migration properties of vacancies and interstitials. The results show that the formation energy of oxygen vacancy is 5.31 eV. The formation energy of interstitial O_i-tet in ZrO is −4.04 eV, indicating that O_i-tet can be formed spontaneously. Another interstitial oxygen O_i-mid with a formation energy of 0.03 eV can also be found in large quantities in ZrO. As for the migration properties, oxygen vacancy in ZrO without doping tends to diffuse along Path 2, and the diffusion barrier is 2.96 eV. Cr and Fe reduce the migration barriers of oxygen vacancies, while Nb and Sn increase them. In contrast, alloying elements generally hinder the formation of oxygen interstitials and increase their migration barriers, particularly in the case of Cr and Fe. The migration barrier of interstitial oxygen diffusion along Path a in pure ZrO is 2.91 eV. However, the migration barriers of interstitial oxygen in ZrO with Cr or Fe doping could increase to more than 4 eV. These findings provide critical insights into the role of alloying elements in modifying defect dynamics, offering a theoretical basis for improving the corrosion resistance and performance of zirconium alloys in practical applications. Full article

Humin, as the most stable fraction in soil organic matter, determines possibility of sustainable environmental development by influencing, among other things, the binding and migration of different chemicals in soil. The aim of this paper was to determine changes in the properties of humins after interaction with three selected active substances of herbicides differing in structure and chemical properties (pendimethalin, metazachlor, and flufenacet) and two different commercial products. In accordance with OECD 106 guidelines, humins isolated from eight different soils were saturated with herbicide compounds under study. As humin is a non-hydrolyzable organic carbon fraction, solid state research techniques (elemental analysis, NMR, FTIR, EPR, and UV-Vis) were applied. The results clearly showed that the interaction between humin and herbicides increases the concentration of oxygen-containing groups and the internal oxidation (ω) in humin. For all investigated humins, a reduction in radical concentration was observed. Radicals in humins were not completely quenched; a certain concentration of radicals with unchanged structure always remained in the samples. Other spectroscopic analyses showed no significant changes in the structure of pesticide-saturated and non-saturated humins. This suggests that sorption of the studied compounds occurs on the humins only as a result of the interaction of physical forces on the surface of the studied organic matter fraction. Thus, interaction with the studied herbicides occurs as a surface phenomenon, and the inner core remains protected by the condensed structure and/or strong binding to the clay minerals. Full article

In this study, the Mo/C276 coating was deposited on Q690E steel by high velocity oxy-fuel spraying (HVOF), and the coating was treated with an organosilicon sealer. Further, the corrosion behaviors of the coating in the simulated deep-sea cold spring environment with hydrogen sulfide and high pressure were studied. The results show that when the oxygen flow rate is 220 NL/min, the coating has the lowest porosity of 1.71% and excellent mechanical properties. Combined with the micromorphology and elemental analysis of the coating, it was assumed that the Fe element generated by the corrosion of the Q690E substrate migrates to the surface of the coating. The corrosion tests in the simulated deep-sea cold showed that before the failure of the coating in the edge and corner areas, the corrosion rate of the coating was less than 0.002 mm/a, which could meet the long-term use requirements in the real cold spring environment. Full article

Platinum (Pt) and palladium (Pd) are crucial in hydrogen energy technologies, especially in fuel cells, due to their high catalytic activity and chemical stability. Pt-Pd nanoparticles, produced through various methods, enhance catalytic performance based on their size, shape, and composition. These nanocatalysts excel in direct methanol fuel cells (DMFCs) and direct ethanol fuel cells (DEFCs) by promoting alcohol oxidation and reducing CO poisoning. Pt-Pd catalysts are also being explored for their oxygen reduction reaction (ORR) on the cathodic side of fuel cells, showing higher activity and stability than pure platinum. Molecular dynamics (MD) simulations have been conducted to understand the structural and surface energy effects of PdPt nanoparticles, revealing phase separation and chemical ordering, which are critical for optimizing these catalysts. Pd migration to the surface layer in Pt-Pd alloys minimizes the overall potential energy through the formation of Pd surface monolayers and Pt-Pd bonds, leading to a lower surface energy for intermediate compositions compared to that of the pure elements. The potential energy, calculated from MD simulations, increases with a decreasing particle size due to surface creation, indicating higher reactivity for smaller particles. A general contraction of the average distance to the nearest neighbour atoms was determined for the top surface layers within the nanoparticles. This research highlights the significant impact of Pd segregation on the structural and surface energy properties of Pt-Pd nanoparticles. The formation of Pd monolayers and the resulting core–shell structures influence the catalytic activity and stability of these nanoparticles, with smaller particles exhibiting higher surface energy and reactivity. These findings provide insights into the design and optimization of Pt-Pd nanocatalysts for various applications. Full article

Sodium-ion batteries (SIBs) hold significant promise in energy storage devices due to their low cost and abundant resources. Layered transition metal oxide cathodes (Na_xTMO₂, TM = Ni, Mn, Fe, etc.), owing to their high theoretical capacities and straightforward synthesis procedures, are emerging as the most promising cathode materials for SIBs. However, the practical application of the Na_xTMO₂ cathode is hindered by an unstable interface, causing rapid capacity decay. This work reviewed the critical factors affecting the interfacial stability and degradation mechanisms of Na_xTMO₂, including air sensitivity and the migration and dissolution of TM ions, which are compounded by the loss of lattice oxygen. Furthermore, the mainstream interface modification approaches for improving electrochemical performance are summarized, including element doping, surface engineering, electrolyte optimization, and so on. Finally, the future developmental directions of these layered Na_xTMO₂ cathodes are concluded. This review is meant to shed light on the design of superior cathodes for high-performance SIBs. Full article

In the Czochralski single-crystal silicon manufacturing industry, single-crystal furnaces often experience corrosion from silicon vapor, which reduces their operational lifespan. However, the preparation of metal coatings on the surface of C/C composites is challenging due to their low coefficient of thermal expansion and the intricate structure of carbon fibers. To address this issue and achieve high-quality alloy coatings, Ni-Al and Ni-Al/Si composite coatings are successfully prepared on the surface of C/C composites through a combination of electroplating and hot-dip plating, and their oxidation behavior at elevated temperatures is thoroughly investigated. The experimental results indicate that the Ni-Al composite coatings exhibit superior antioxidant properties compared to Ni coatings following thermal shock experiments, thereby significantly enhancing the antioxidant performance of C/C composites. This improvement is attributed to the preferential oxidation of surface aluminum, which forms a dense Al₂O₃ layer in aerobic and high-temperature environments, effectively preventing oxygen from reaching the underlying matrix. During the oxidation process, coating elements migrate outward along the concentration gradient, while oxygen molecules diffuse inward. Simultaneously, aluminum atoms diffuse inward, and Ni atoms diffuse outward, where they partially dissolve with oxygen. The inner coating’s Ni enhances the bonding of the coating by connecting the substrate to the outer layer. Meanwhile, the added Si in the Ni-Al/Si composite coating further improves the antioxidant properties of the coating. Full article

The Ordovician dolomite in the Ordos Basin is an important natural gas reservoir. Exploring dolomite genesis and the factors influencing reservoir characteristics is essential for deep carbonate rock exploration. This study offers a comprehensive analysis of dolomite evolution using methods such as thin-section petrography, isotope analysis, and trace and rare earth elements. The analysis shows that: Based on petrographic observations of the Majiagou Formation in the study area, the dolomite in the study area can be divided into residual oolitic dolomite of synsedimentary or metasomatic origin, micritic dolomite of secondary metasomatism or recrystallization origin, powder crystal dolomite, and fine crystal dolomite. Reservoir pores mainly develop intergranular pores, mold pores, dissolved pores, and fractures. Combined with the characteristics of major elements, trace elements, carbon and oxygen isotopes, rare earth elements, and inclusions in the study area, it can be concluded that the fifth member dolomite of the Majiagou Formation is of shallow–medium burial origin. The diagenetic evolution sequence from the penecontemporaneous period to the middle–deep burial period in the study area is penecontemporaneous dolomite, anhydrite dissolution → seepage silt filling, freshwater dolomite, calcite, and gypsum filling, pressure solution compaction, calcite partial dissolution → gypsum filling, karst cave, buried hydrothermal dolomite, dolomite partial dissolution → calcite complete dissolution, pore dissolution expansion, and quartz pyrite filling. In the early stage of compaction and pressure solution, the primary pores are rapidly reduced, and in the later stage, sutures are generated to provide channels for reservoir fluid migration. The recrystallization reduces the porosity during the middle–deep burial period. Full article

Point bars are crucial elements of river systems, significantly enhancing the nitrogen cycle in riparian zones by facilitating hyporheic exchange between surface water and riparian zones. This study investigated the impact of dissolved oxygen (DO) concentration and temperature on nitrogen transport and reactions in river point bars. A two-dimensional coupled surface water–groundwater model was developed to analyze nitrogen distribution, variations, and reaction rates in rivers with point bars. The model considered three chemical reactions controlling nitrogen transformation: aerobic respiration, nitrification, and denitrification, with DO and temperature as independent variables. The results indicated that DO variations have a limited effect on solute migration depth, whereas increased temperature reduces solute migration depth. At surface water DO concentrations of 0.1, 0.2, and 0.4 mol/m³, nitrate removal in the riparian zone was 0.022, 0.0064, and 0.0019 mol/m, respectively. At riparian temperatures of 5 °C, 15 °C, and 25 °C, nitrate removal was 0.012, 0.041, and 0.16 mol/m, respectively. Nitrogen removal is more sensitive to temperature variations than to changes in DO concentration. In this research, the decrease in DO concentrations and the temperature increase greatly enhanced the riparian zone’s denitrification effect. This study improves our understanding of how riparian zones impact nitrogen cycling under various environmental conditions. Full article

The inexplicable distribution of souring wells (presence of H₂S gas) of the unconventional Montney Formation hydrocarbon resource (British Columbia; BC) is investigated by analysing sulphur and oxygen isotopes, coupled with XRD mineralogy, scanning electron microscopy (SEM), and energy dispersive spectroscopy (EDX). The sulphur isotopic analysis indicates that the sulphur isotopic range for Triassic anhydrite (δ34S 8.9 to 20.98‰ VCDT) is the same as the H₂S sulphur that is produced from the Montney Formation (δ34S 9.3 to 20.9‰ VCDT). The anhydrite in the Triassic rocks is the likely source of the sulphur in the H₂S produced in the Montney Formation. The deeper Devonian sources are enriched in ³⁴S and are not the likely source for sulphur (δ34S 17.1 and 34‰ VCDT). This is contradictory to studies on Montney Formation producers in Alberta, with heavier (³⁴S-enriched) sulphur isotopic signatures in H₂S gas of all souring Montney Formation producers. These studies conclude that deep-seated faults and fractures have provided conduits for sulphate and/or H₂S gas to migrate from deeper sulphur sources in the Devonian strata. There are several wells that show a slightly heavier (³⁴S-enriched) isotopic signature (δ34S 18 to 20‰ VCDT) within the Montney Formation H₂S gas producing within close proximity to the deformation front. This variation may be due to such deep-seated faults that acted as a conduit for Devonian sulphur to migrate into the Montney Formation. Our geological model suggests the sulphate-rich fluids have migrated from the Charlie Lake Formation prior to hydrocarbon generation in the Montney Formation (BC). Sulphate has concentrated in discrete zones due to precipitation in conduits like fracture and fault systems. The model fits the observation of multi-well pads containing both sour- and sweet-producing wells indicating that the souring is occurring in very narrow and discrete zones with the Montney Formation (BC). Government agencies and operators in British Columbia should map the anhydrite-rich portions of the Charlie Lake Formation, together with the structural elements from three-dimensional seismic to reduce the risk of encountering unexpected souring. Full article

Usually, deep oil and gas accumulation is often controlled by strike–slip faults. However, in the Tarim Basin, deep Ordovician oil and gas accumulations are also found in areas far from the fault zone. The process of oil and gas accumulation in deep reservoirs far from strike–slip fault zones is still unclear at present. The source and evolution of Ordovician fluids were analyzed using inclusion geochemical methods and the U–Pb dating technique. The analysis of rare earth elements and carbon–oxygen–strontium isotopes in the reservoirs showed that the reservoirs were weakly modified by diagenetic fluid. The fluid was derived from the fluid formation during the same period as the seawater, and no oxidizing fluid invaded the reservoir. The late oil and gas reservoirs had good sealing properties. The U–Pb dating results combined with homogenization temperature data revealed that the first-stage oil was charged during the Late Caledonian Period, and the second-stage natural gas was charged during the Middle Yanshanian Period. The evolution of the paleo-pressure showed that the charging of natural gas in the Middle Yanshanian was the main reason for the formation of reservoir overpressure. The strike–slip fault zone was basically inactive in the Middle Yanshanian. During this period, the charged natural gas mainly migrated to the reservoir along the unconformity surface and the open strike–slip fault zone in the upper part of the Ordovician reservoir. The source of the fluid shows that the reservoir in the late stage had good sealing properties, and there was no intrusion of exogenous fluid. The overpressure in the reservoir is well preserved at present. Full article

This study investigated the migration patterns of oxygen in the deoxidation process of Ti-48Al alloy scrap using electromagnetic levitation (EML) technology. Scanning electron microscopy (SEM), X-ray diffraction (XRD), and X-ray photoelectron spectroscopy (XPS) were employed to analyze the oxygen distribution patterns and migration path during EML. The refining process resulted in three types of oxygen migration: (1) escape from the lattice and evaporation in the form of AlO, Al₂O; (2) formation of metal oxides and remaining in the alloy melt; (3) attachment to the quartz tube wall in the form of metal oxides such as Al₂O₃ and Cr₂O₃. The oxygen content of the scrap was dropped with a deoxidation ratio of 62%. It indicated that EML can greatly promote the migration and removal of oxygen elements in Ti-Al alloy scrap. Full article