Search Results (248)

Compared with vanadium extraction by sodium roasting followed by water leaching, the calcification roasting–sulfuric acid leaching method is considered a promising approach for the comprehensive utilization of vanadium titanomagnetite, as it avoids the introduction of alkali metals. However, during vanadium extraction by sulfuric acid heap leaching, the diffusion of leaching reagents and leaching products was hindered by the deposition of leaching solid products. To address this issue, this study systematically investigated the leaching kinetics and the mechanisms underlying the deposition of leaching solid products. The results indicated that vanadium leaching was governed by a combination of liquid film diffusion and internal diffusion through solid-phase products during days 0–2, and by internal diffusion alone from day 2 to day 9. The primary solid products formed during leaching were calcium sulfate and silica gel. Calcium sulfate precipitated and grew within the pore via two-dimensional nucleation, while silicates formed silica gel through dehydration. By optimizing the sulfuric acid leaching conditions—specifically, maintaining an H⁺ concentration of 2 mol/L, a leaching temperature of 40 °C, and a liquid-to-solid ratio of 5:1—the formation of calcium sulfate and silica gel was effectively suppressed. Under these conditions, the vanadium leaching efficiency reached 75.82%. Full article

High-alumina fly ash may potentially be a valuable source of Ga with a concentration of Ga at 80 mg/kg. Direct adsorption and enrichment of Ga from sulfuric acid leach liquor of high-alumina fly ash is developed in this study. The H-type chelating resin with two carboxy groups exhibited the best adsorption capacity for Ga. The maximum adsorption capacity for Ga was 55 mg/g resin with an adsorption time of 24 h, an initial Ga concentration of 500 mg/L, an adsorption temperature of 55 °C, and an initial acid concentration of 0.1 mol/L. The adsorption process of Ga was in good fit with the Langmuir isotherm and pseudo-second-order reaction kinetics model. The chemical adsorption rate was controlled by an internal diffusion mechanism. The resin had a high selectivity for Ga³⁺ with a K_d over 3600 compared with Fe²⁺, Al³⁺, K⁺, Ca²⁺, and Mg²⁺. The adsorption mechanism was found to be the ion exchange reaction between Ga and H of carboxy and hydroxyl groups. The concentration of Ga in sulfuric acid leach liquor from high-alumina fly ash achieved enrichment from 200 mg/L to 2 g/L. It is an attractive medium for large-scale Ga extraction from high-alumina fly ash. Full article

The modification of materials is considered as one of the productive methods to facilitate the better electrochemical behavior of lithium–sulfur battery cathodes and inhibit the shuttle effect. Adopting first-principles calculations in this work, the application potential of pristine and B-, N-, and P-doped thgraphene as anchoring materials was investigated. The results reveal that pristine and doped substrates have an excellent structural stability, conductivity, and electrochemical activity. In the absence of an electric field, four substrates exhibit a strong anchoring effect on the Li₂S cluster, where the adsorption energies fall within 3.10 to 4.48 eV. Even under the external electric field, all substrates exhibit notable structural stability during Li₂S adsorption processes and maintain a high electrical conductivity, with adsorption energies exceeding 2.75 eV. Furthermore, it has been observed that the interfacial diffusion energy barriers for Li on all substrates are below 0.35 eV, which effectively enhances Li migration and facilitates reaction kinetics. Additionally, Li₂S demonstrates a low decomposition energy barrier (varying from 0.84 to 1.55 eV) on pristine and doped substrates, enabling the efficient regeneration of the active material during the battery cycling. These findings offer a scientific guideline for the design of pristine and doped thgraphene as an excellent anchoring material for advanced lithium–sulfur batteries. Full article

The Fricke gel dosimeter, a hydrogel-based chemical dosimeter containing dissolved ferrous sulfate, measures 3D radiation dose distributions by oxidizing Fe²⁺ to Fe³⁺ upon irradiation. This study investigates the variation in Fricke yield, G(Fe³⁺), from a radiation–chemical perspective in both standard and gel-like Fricke systems of varying viscosities, under low- and high-linear energy transfer (LET) conditions. We employed our Monte Carlo track chemistry code IONLYS-IRT, using protons of 300 MeV (LET~0.3 keV/µm) and 1 MeV (LET~25 keV/µm) as radiation sources. To assess the impact of viscosity on G(Fe³⁺), we systematically varied the diffusion coefficients of all radiolytic species in the Fricke gel, including Fe²⁺ and Fe³⁺ ions. Increasing gel viscosity reduces Fe³⁺ diffusion and stabilizes spatial dose distributions but also lowers G(Fe³⁺), compromising measurement accuracy and sensitivity—especially under high-LET irradiation. Our results show that an optimal Fricke gel dosimeter must balance these competing factors. Simulations with lower sulfuric acid concentrations (e.g., 0.05 M vs. 0.4 M) further revealed that G(Fe³⁺) values at ~100 s are nearly identical for both low- and high-LET conditions. This study underscores the utility of Monte Carlo simulations in modeling viscosity effects on Fricke gel radiolysis, guiding dosimeter optimization to maximize sensitivity and accuracy while preserving spatial dose distribution integrity. Full article

For cold venting processes frequently employed in oil and gas fields, precisely predicting the instantaneous diffusion process of the vented explosive and/or toxic gases is of great importance, which cannot be captured by the Reynolds-averaged Navier–Stokes (RANS) method. In this paper, the large eddy simulation (LES) method is introduced for gas diffusion in an open space, and the diffusion characteristics of the sulfur-containing natural gas in the cold venting process is analyzed numerically. Firstly, a LES solution procedure of compressible gas diffusion is proposed based on the ANSYS Fluent 2022, and the numerical solution is verified using benchmark experiments. Subsequently, a computational model of the sulfur-containing natural gas diffusion process under the influence of a wind field is established, and the effects of wind speed, sulfur content, the venting rate and a downstream obstacle on the natural gas diffusion process are analyzed in detail. The results show that the proposed LES with the DSM sub-grid model is able to capture the transient diffusion process of heavy and light gases released in turbulent wind flow; the ratio between the venting rate and wind speed has a decisive influence on the gas diffusion process: a large venting rate increases the vertical diffusion distance and makes the gas cloud fluctuate more, while a large wind speed decreases the vertical width and stabilizes the gas cloud; for an obstacle located closely downstream, the venting pipe makes the vented gas gather on the windward side and move toward the ground, increasing the risk of ignition and poisoning near the ground. The LES solution procedure provides a more powerful tool for simulating the cold venting process of natural gas, and the results obtained could provide a theoretical basis for the safety evaluation and process optimization of sulfur-containing natural gas venting. Full article

Heavy metals in peatland pose significant ecological risks due to their persistence, bioaccumulation, and dynamic mobilization under fluctuating environmental conditions. Understanding heavy metal dynamics in subtropical peatlands is critical for addressing global gaps in wetland metal cycling, as these ecosystems face intensified organic decomposition and climatic fluctuations that amplify mobilization risks—contrasting starkly with stable northern counterparts. This study investigates the geochemistry of heavy metals (Cr, Cu, Cd, and Pb) of Dajiuhu peatland in central China, using sequential extraction, gradient diffusion (DGT), and random forest modeling. The mean concentrations of Cr, Cu, Cd, and Pb in peat samples were 24.6 ± 13.7 mg/kg, 14.9 ± 2.51 mg/kg, 1.15 ± 0.62 mg/kg, and 54.9 ± 16.16 mg/kg. Principal component analysis identified three sources: plant-derived litter, bedrock weathering, and atmospheric deposition. Metal speciation revealed the predominance of residual fractions (Cr: 64%, Cu: 61%, Pb: 65%, Cd: 35%), with Cd exhibiting higher mobility (exchangeable: 20%, reducible: 25%). DGT measurements further confirmed distinct migration behaviors, as Cd stored in peat actively diffuses into the surrounding environment, while Pb present in the environment becomes immobilized within the peat matrix. Environmental factors regulate heavy metal speciation through distinct mechanisms. The exchangeable fractions of Cu and Cr are primarily controlled by the C/N ratio, whereas their oxidizable forms are significantly associated with Al content and pH levels. The exchangeable fractions of Pb and Cd are largely influenced by oxidation-reduction potential (ORP) and Ca concentrations, and their reduced forms are closely linked to total sulfur (TS) content. Furthermore, the reducible fractions of Cr and Cd are not only regulated by ORP but also modulated by TS. Our study highlights that the mobility of heavy metals in subtropical peatlands is likely to increase substantially as a result of environmental changes. Full article

Issues encompassing hazardous waste management face challenges, particularly those involving the manufacture of electronic devices such as PCBs that are in high demand with continual growth. Therefore, upcycling to create new products viable for highly valued markets emphasizes alternative solutions towards the circular economy. This research highlights the advantages of copper sulfate recovery from the cupric chloride etching waste solution from PCB manufacturing, combined with the synthesis of copper nanoparticles for antibacterial application. First, aluminium cementation, sulfuric acid leaching, and crystallization were incorporated in the recovery step to ensure a high purity of 99.95% and a recovery of 94.76%. Aluminium cementation selectively offered copper-containing precipitates suitable for leaching to gain high-purity recovered products. In the second step, copper nanoparticles were synthesized using 0.01–0.20 M copper sulfate precursors via sonochemical reduction. In total, 1–5 mL of hydrazine and 5–30 mL of 0.01 M ethylene glycol were added into a 50 mL precursor as reducing and capping agents, respectively. Hydrazine addition under high pH played a key role in controlling the shape, size, and purity of the copper nanoparticles, required for their antibacterial properties. The optimum condition gave spherical or polygonal copper nanoparticles of 54.54 nm at 99.95% purity and >92% recovery. The antibacterial test of the synthesized copper nanoparticles using E. coli via agar well diffusion exhibited a zone of inhibition (ZOI) of 50 mm at 127 mg/mL, similar to the antibiotic-controlled condition, proving their antibacterial potential. Along with process effectiveness, a feasibility study of the inventing process confirmed the environmental and economic impacts of minimizing energy consumption and processing time, which are competitive with respect to the existing recycling technologies. Full article

To investigate the methane adsorption characteristics in different types of kerogen, microscopic models for three kerogen types—sapropelic (Type I), mixed (Type II), and humic (Type III)—were developed in this paper based on the paradigm diagram. Using Materials Studio 2020 software, a combination of molecular dynamics and Monte Carlo adsorption simulations was employed to examine the kerogen from the molecular structure to the cellular structure, with an analysis rooted in thermodynamic theory. The results indicated that the elemental composition of kerogen significantly influenced both the heat of adsorption and the adsorption position, with sulfur (S) having the greatest effect. Specifically, the C-S bond shifted the methane adsorption position horizontally by 0.861 Å and increased the adsorption energy by 1.418 kJ. Among the three types of kerogen crystals, a relationship was observed among the adsorption amount, limiting adsorption energy, and specific adsorption energy, with Type I < Type II < Type III. Additionally, the limiting adsorption energy was greater than the specific adsorption energy. The limiting adsorption energy of Type Ⅲ was only 28.436 kJ/mol, which indicates that methane is physically adsorbed in the kerogen. Regarding the diffusion coefficient, the value of 0.0464 Ų/Ps in the micropores of Type I kerogen was significantly higher than that in Types II and III, though it was much smaller than the diffusion coefficient observed in the macropores. Additionally, adsorption causes volumetric and effective pore volume expansion in kerogen crystals, which occurs in two phases: slow expansion and rapid expansion. Higher types of kerogen require a larger adsorption volume to reach the rapid expansion phase and expand more quickly. However, during the early stage of adsorption, the expansion rate is extremely low, and even a slight shrinkage may occur. Therefore, in shale gas extraction, it is crucial to design the extraction strategy based on the content and adsorption characteristics of the three kerogen types in order to enhance shale gas production and improve extraction efficiency. Full article

The high treatment costs associated with wastewater and waste solutions produced by the anodic oxidation polishing section significantly limit industry development. To address this challenge, the present study investigates the characteristics of polishing wastewater and waste solutions, employing extraction and ion exchange combined with diffusion dialysis to recover effective acids. For waste tank solutions, single and dual solvent extraction experiments were conducted to determine the optimal extraction system. Electrostatic potential and interaction region indicator (IRI) analyses were performed to provide theoretical justification. Regarding cleaning wastewater, resin adsorption was applied to selectively remove aluminium ions from waste acid solutions, facilitating effective acid recovery. Static and dynamic adsorption–desorption experiments were initially performed to identify suitable resins. Subsequently, optimised parameters—including adsorption and desorption concentrations, volumes, and flow rates—were systematically established through conditional experiments, and diffusion dialysis was applied to recover acids from the desorbed solutions. The experimental results indicate that tributyl phosphate (TBP) emerged as the optimal single extractant, achieving an effective acid extraction rate of 88.67% under a solvent ratio of 4:1 at a room temperature of 28 °C. A binary solvent system, composed of TBP with 20% sulfonated kerosene, demonstrated superior engineering feasibility due to its reduced viscosity and satisfactory extraction rate of 82.19%. Moreover, adsorption–desorption tests confirmed that the resin-based method effectively recovered acids from cleaning wastewater. Specifically, under optimal operational conditions—downstream adsorption at 0.3–0.5 bed volumes (BV) and 1.0 BV/h, coupled with counter-current desorption at 2 BV and 2.4 BV/h—the acid recovery rate reached ≥95% while removing ≥90% of aluminium ions. Additionally, employing 20% sulfuric acid solution for desorption in diffusion dialysis enabled cyclic desorption. Consequently, this study successfully achieved acid reuse and substantially lowered wastewater treatment costs, representing a promising advancement for anodic oxidation polishing processes. Full article

This paper reports the effects of different levels of tensile stress caused by quasi-static loading on the corrosion behavior of T91 steel in a molten salt environment. Corrosion tests were carried out in a molten salt environment with a NaCl:K₂SO₄:Na₂SO₄ ratio of 1:1:8 under different applied stresses. The corrosion behavior was investigated through measurements of the phase composition, oxide morphology, and elementary composition. The results indicated that a low tensile stress promotes the growth of chromium oxides near the substrate and enhances the corrosion resistance, but with an increase in stress, the chromium oxides that formed on the T91 steel are destroyed, accelerating the inward diffusion of sulfur into the substrate to increase corrosion. The mechanism underlying the effects of applied stress and temperature on the corrosion behavior of T91 steel is discussed. Full article

The presence of dissolved sulfides in feed seawater causes severe elemental sulfur fouling in the reverse osmosis (RO) process. However, current pretreatment methods suffer from large footprint, high energy consumption, and limitations in effluent quality. In this study, adsorption and microfiltration are merged into a single process for the pretreatment of sulfide-containing seawater. Powdered activated carbon (PAC) was selected for its superior adsorption capacity (14.6-fold) and faster kinetics (3.9-fold) for sulfide removal compared to granular activated carbon. The high surface area and multiple pore structures of PAC facilitate surface and intraparticle diffusion, as well as anion–π conjugation likely occur between PAC and sulfide. Polypropylene microporous membranes, capable of tolerating high PAC dosages, were used in the hybrid process. Long-term pilot tests demonstrated that the effluent (turbidity < 1 NTU and SDI₁₅ ≈ 2.50) met the quality requirements for RO unit feedwater, achieving 100% sulfide removal efficiency over 101 h, with no risk of PAC leakage throughout the entire operation process. The formation of a loose, porous PAC cake layer alleviates membrane fouling and enhances the retention and adsorption of metal(loid)s and sulfide. Moreover, the low permeate flux of the polymeric membranes significantly mitigates filter cake formation. The hybrid system adapts to variations in feedwater quality, making it highly suitable for desalination plants with limited space and budget. These findings offer valuable insights and practical guidance for advancing seawater desalination pretreatment. Full article

The comprehensive recycling of aluminum electrolysis cell waste barrier material is urgent. This study focuses on the sulfuric acid leaching of waste barrier material, systematically examining the effects of factors such as reaction temperature, liquid-to-solid ratio, sulfuric acid concentration, and reaction time on the leaching of elements like lithium, aluminum, sodium, and silicon. The experimental results show that under the conditions of 0.9 mol/L sulfuric acid concentration, a liquid-to-solid ratio of 20:1, a reaction temperature of 90 °C, and a reaction time of 1.5 h, the leaching rates were 84.5% for lithium, 85.6% for aluminum, 98.5% for sodium, and 4.8% for silicon. The sulfuric acid leaching process of the waste barrier material follows a shrinking core model and is controlled by internal diffusion. The apparent activation energies for the leaching reactions of lithium, aluminum, and sodium were 4.29 kJ/mol, 8.99 kJ/mol, and 9.11 kJ/mol, respectively. The selective leaching of lithium, sodium, and aluminum from silicon was successfully achieved in the sulfuric acid leaching of the waste barrier material. Full article

The full description of the mechanisms for the diffusion of substitutional impurities requires an account of the correlation of the atomic jumps. This study investigated the diffusion of phosphorus (P) and sulfur (S) in the fcc copper (Cu) single crystal using density functional theory (DFT). Vacancy formation energies and impurity–vacancy interactions were calculated, revealing attractive interactions of P and S with the vacancies. The attractive interactions between S and a vacancy were roughly twice as strong as those between P and a vacancy. The 5-frequency—or 5-jump—model was employed to describe the correlation effects during diffusion. The potential energy profiles and activation energies were determined for the different jump paths necessary for the model and to account for all the correlation effects in substitutional impurity diffusion in the single crystal. The results indicated that S diffuses significantly faster than P in Cu, primarily due to lower activation energies for certain jump paths and a more favorable vacancy–impurity interaction. This occurs because when bonding with the crystal, S tends to prefer atomic sites with larger volumes and more asymmetric geometric arrangements when compared to P. This favors the interactions between S and the vacancies, and reduces friction with the matrix during the diffusion of S. The effective diffusion coefficients were calculated and compared with experimental data. The findings provide insights into the diffusion mechanisms of P and S in Cu and how these can be affected by the presence of extended defects such as grain boundaries. Full article

In this study, nitrogen- and sulfur-co-doped MXene (NS-MXene) was developed as a high-performance cathode material for lithium–sulfur (Li-S) batteries. Heterocyclic Se₂S₆ molecules were successfully confined within the NS-MXene structure using a simple melt impregnation method. The resulting NS-MXene exhibited a unique wrinkled morphology with a stable structure which facilitated rapid ion transport and provided a physical barrier to mitigate the shuttle effect of polysulfide. The introduction of nitrogen and sulfur heteroatoms into the MXene structure not only shifted the Ti d-band center towards the Fermi level but also significantly polarizes the MXene, enhancing the conversion kinetics and ion diffusion capability while preventing the accumulation of Li₂S₆. Additionally, the incorporation of Se and S in Se₂S₆ improved the conductivity compared to S alone, resulting in reduced polarization and enhanced electrical properties. Consequently, NS-MXene/Se₂S₆ exhibited excellent cycling stability, high reversible capacity, and reliable performance at high current densities and under extreme conditions, such as high sulfur loading and low electrolyte-to-sulfur ratios. This work presents a simple and effective strategy for designing heteroatom-doped MXene materials, offering promising potential for the development of high-performance, long-lasting Li-S batteries for practical applications. Full article

Acid leaching is an effective method for dephosphorization; however, it is time-consuming and requires a high amount of acid consumption, resulting in increased production costs and environmental risks. This work aims to remove silicon, aluminum, and phosphorus from high-phosphorus oolitic magnetite concentrate through high-pressure alkaline leaching and ultrasonic acid leaching. Compared with traditional acid leaching processes, the sulfuric acid dosage can be significantly reduced from 200 kg/t to 100 kg/t, and the pickling time is shortened from 60 min to 10 min. Thermodynamic and kinetic studies have demonstrated that acid leaching facilitates apatite dissolution at low temperatures, whereas the dephosphorization reaction is controlled mainly by diffusion. The application of ultrasonic waves leads to finer particle sizes and greatly increased specific surface areas, thereby accelerating the diffusion rate of the leaching agent. Furthermore, microscopic analysis revealed that under the influence of ultrasonic waves, numerous micro-fragments and pores form on particle surfaces due to cavitation effects and mechanical forces generated by ultrasonic waves. These factors promote both the reaction rates and diffusion processes of the leaching agent while enhancing the overall leaching efficiency. Full article