Search Results (57)

Platinum group metals (PGMs) are strategic metals, and recycling PGMs in spent automobile exhaust catalysts (SACs) is a key path to alleviate the contradiction between resource supply and demand. This paper proposes a new Cu-Ni capture process and conducts research on the recovery of PGMs from SACs. Through the binary phase diagram analysis of Cu, Ni and PGMs and the thermodynamic calculation of the system reduction reaction, the feasibility of this technology was theoretically confirmed. Experimental results show that under the conditions of a temperature of 1450 °C, a holding time of 90 min, a Cu-Ni ratio of 1:1, and a basicity of 0.58, the recovery rates of Pt, Pd, and Rh reached 99.2%, 99.34%, and 98.48% respectively. Combined with orthogonal experiments, it was verified that temperature is the most influential factor on the recovery rate, and the four-stage capture mechanism of “initial diffusion—droplet aggregation—sedimentation and wetting—slag–metal separation” was clarified. This process reduces the melting temperature and provides new technology for green and efficient recycling of PGMs. Full article

Trace metal contamination in lotic freshwater systems exhibits pronounced heterogeneity arising from coupled hydrological connectivity, geochemical partitioning, and anthropogenic forcing, complicating exposure characterization in urban and peri-urban catchments. Addressing this complexity requires integrative analytical approaches capable of deciphering system-level controls, prompting an investigation of the environmental structuring and governing controls of dissolved trace metal signatures in a human-impacted stream using a system-oriented computational framework. To capture temporal variability associated with seasonal hydrological contrasts and heterogeneous pollution inputs, a station-based, season-resolved sampling strategy was implemented during the wet and dry seasons. Physicochemical gradients (pH, temperature, dissolved oxygen, and electrical conductivity), inorganic nitrogen species (NH₃, NO₂⁻, and NO₃⁻), and phosphorus fractions (total phosphorus, TP; total orthophosphate, TOP; soluble reactive P, SRP) were jointly analyzed with dissolved concentrations of chromium (Cr), copper (Cu), nickel (Ni), lead (Pb), cadmium (Cd), mercury (Hg), and arsenic (As). Regression-based machine learning models were used to quantify element-specific sensitivities to hydrochemical drivers under wet–dry periods and to identify optimal predictive configurations. Predictive performance was consistently high for trace metals (R² generally >0.95), with Random Forest providing the best accuracy for Cr, Ni, Pb, Cd, As, and Hg, whereas Cu was most reliably captured by an XGBoost tree ensemble (R² = 0.994). Explainability analyses revealed heterogeneous, metal-specific control regimes: Cr was primarily driven by temperature, Ni by NO₂⁻ and redox-sensitive conditions, Cd by NH₃ and temperature, and As by Hg in combination with phosphorus-related and redox-linked proxies, while Pb showed comparatively lower predictability relative to other metals. Trace metal distributions are therefore structured primarily by differential environmental sensitivity rather than uniform source-driven inputs, reinforcing the need for integrative computational frameworks when interpreting freshwater contamination under intensifying anthropogenic and climatic pressures. Full article

Developing sustainable and molecularly selective adsorbents for heavy-metal removal remains a critical challenge in water purification. Herein, we report a green molecular-engineering approach for fabricating aza-crown ether functionalized sodium alginate aerogels (ACSA) capable of highly selective Cu²⁺ capture. The aerogels were synthesized via saccharide-ring oxidation, Cu²⁺-templated self-assembly, and reductive amination, enabling the covalent integration of aza-crown ether motifs within a hierarchically porous biopolymer matrix. Structural analyses (FTIR, ¹³C NMR, XPS, SEM, TGA) confirmed the in situ formation of macrocyclic N/O coordination sites. Owing to their interconnected porosity and chemically stable framework, ACSA exhibited rapid sorption kinetics following a pseudo-second-order model (R² = 0.999) and a Langmuir maximum adsorption capacity of 150.82 mg·g⁻¹. The material displayed remarkable Cu²⁺ selectivity over Zn²⁺, Cd²⁺, and Ni²⁺, arising from the precise alignment between Cu²⁺ ionic radius (0.73 Å) and crown-cavity dimensions, synergistic N/O chelation, and Jahn-Teller stabilization. Over four regeneration cycles, ACSA retained more than 80% of its original adsorption capacity, confirming excellent durability and reusability. This saccharide-ring modification strategy eliminates crown-ether leaching and weak anchoring, offering a scalable and environmentally benign route to bio-based adsorbents that combine molecular recognition with structural stability for efficient Cu²⁺ remediation and beyond. Full article

Monitoring trace metals in commercially important fish species provides an early warning of anthropogenic contamination and potential risk to consumers. This study semi-quantified and quantified essential, non-essential, and toxic elements in the muscle of wild meagre (Argyrosomus regius) captured in the Tagus estuary (Portugal), which is used as a nursery and spawning aggregation area. Dry muscle was microwave-digested and analyzed using inductively coupled plasma–optical emission spectroscopy. Semi-quantified screening detected Al, B, Ca, Fe, K, Mg, Na, P, S, Si, Sr, and Ti, and eight elements were determined using multielement calibration (As, Cr, Cu, Hg, Mn, Ni, Se, and Zn); Cd, Pb (toxic elements), Co, and Mo were not detected in this study. Arsenic was detected in all individuals, with a minimum value of 0.348 mg/kg wet weight. A mercury level above the European Commission regulatory limit (0.5 mg/kg wet weight) was only detected in one individual, corresponding to 2% of the samples. Although other metals remain well below regulatory limits, continued biomonitoring is recommended to track temporal trends and safeguard seafood safety in transitional coastal systems, which is important for commercially relevant fish species. Full article

Fatigue damage is critical for 0Cr17Ni4Cu4Nb stainless-steel components that may operate near yield under stress-controlled cycles and occasional peak holds. This work investigates the cyclic response of 0Cr17Ni4Cu4Nb stainless-steel under near-yield-stress-controlled (NYSC) loading and proposes a unified damage framework that bridges monotonic ductile fracture, near-yield stress-controlled fatigue. Building on the Enhanced Lou-Yoon model, an elastic-damage term is introduced and embedded within a continuum damage mechanics framework, allowing elastic (sub-yield) and plastic (post-yield, Ultra-Low-Cycle-Fatigue/Low-Cycle-Fatigue (ULCF/LCF)) damage to be treated in a unified, path-averaged stress-state description defined by stress triaxiality and the Lode parameter. Five stress-controlled test groups are examined, with applied load amplitudes from 20.6 to 25.1 kN (equivalent stress amplitudes 858~1044 MPa) yielding fatigue lives ranging from 32 to 13,570 cycles. The extended model captures the evolution of damage origin mechanisms from elasticity-dominated to plasticity-dominated as loading severity increases, demonstrating a unified elastic-plastic damage modeling approach. As a result, it accurately predicts fatigue lives spanning two orders of magnitude with an average absolute percentage error of approximately 14.5% across all conditions. Full article

To address the challenges posed by extensive sample pretreatment and significant matrix interference in conventional metal quantification methods for cyanobacterial culture media, an automated online metal capture and enrichment system was developed and integrated with inductively coupled plasma mass spectrometry (ICP-MS). This system enabled the simultaneous determination of nine metal elements—Cd, Pb, V, Mn, Fe, Co, Ni, Cu, and Zn—within the culture medium. Through systematic optimization and validation, the method demonstrated exceptional analytical performance: calibration curves for all analytes exhibited correlation coefficients (r) exceeding 0.999; repeatability tests yielded relative standard deviations (RSD) below 3% (n = 6); and recoveries at low, medium, and high spike levels ranged from 93.98% to 108.70%. The procedure is characterized by simplicity, high automation, low detection limits, and robust accuracy, making it an effective platform for multi-element contamination monitoring and metal metabolic studies in cyanobacterial cultivation. This approach holds significant potential for applications in algal resource utilization and environmental restoration. Full article

This study reports a first-principles investigation of the structural, mechanical, electronic, and vibrational properties of In₃Sc in several crystal structures: AuCu₃ (Pm$\overline{3}$m), Al₃Ti (I4/mmm), Ni₃Sn (P6₃/mmc), and BiF₃ (Fm$\overline{3}$m), with a focus on pressure effects. Calculated equilibrium lattice constants, bulk, shear, and Young’s moduli show good agreement with experimental and theoretical data, especially for the cubic AuCu₃ phase. Elastic constants, examined with the Born stability criteria, reveal that the cubic (SG 221), tetragonal (SG 139), and hexagonal (SG 194) phases are mechanically stable at zero pressure, while the BiF₃-type cubic (SG 225) is unstable. Pressure-dependent variations in lattice parameters, bulk modulus, and elastic moduli, captured by polynomial fits, demonstrate stiffening effects and pressure-induced phase transitions. Band structures and density of states confirm metallicity in all stable phases, with In–Sc hybridization governing bonding. Phonon dispersions and Grüneisen parameters, calculated under compression, establish the dynamical stability of the mechanically stable structures and provide insight into vibrational and thermal behavior. Debye temperature and sound velocities highlight favorable thermal-transport features. Altogether, the results clarify the intrinsic mechanical and thermodynamic response of In₃Sc, supporting its potential as a promising intermetallic for structural and functional use under extreme conditions. Full article

Trace metal pollution has become an increasing concern in urban areas, mainly due to industrial activities and heightened human activities near water bodies. This study aimed to quantify the level of pollution caused by the trace metals Co, Cr, Cu, Mn, Ni, and Zn in surface sediments of Aurá and Guamá rivers, as well as Guajará Bay, in the metropolitan region of Belém (Northern Brazil). A total of 33 sediment samples were collected—14 from the Aurá River, 7 from the Guamá River, and 12 from Guajará Bay—during both the wet and dry seasons to capture seasonal variability. The studied trace metals were measured through inductively coupled plasma optical emission spectrometry (ICP-OES), and the decreasing order of concentration detected was the following: Mn > Zn > Cr > Ni > Co > Cu. To assess the degree of pollution, three geochemical indicators were employed: the Geoaccumulation Index (Igeo), which compares observed concentrations with natural background levels to classify contamination severity; the Enrichment Factor (EF), which helps distinguish between natural and anthropogenic sources of metals using a reference element (typically aluminum or iron); and the Mean-ERM-Quotient, which evaluates the potential ecotoxicological risk of the metals based on benchmark values for adverse effects on aquatic organisms. Based on these indicators, the sediments of the studied area can be classified as showing “moderate contamination and enrichment”. The metals Zn and Cu exhibited the highest degrees of enrichment, likely of anthropogenic origin. Overall, this study revealed that areas closer to sites of intense human activity are more susceptible to trace metal contamination, especially during the wet season. Frequent monitoring of areas classified as “contaminated” and time-series data are necessary to examine more deeply the pollution of river sediments and their potential changes concerning shifts in the status of urbanization and industrialization. Full article

This study evaluates the impact of mineralogy, elemental composition, and reaction pathways on hydrogen (H₂) generation in seven ultramafic and mafic (basaltic) rocks. Experiments were conducted under typical low-temperature hydrothermal conditions (150 °C) and captured early and evolving stages of fluid–rock interaction. Pre- and post-interactions, the solid phase was analyzed using X-ray Diffraction (XRD) and X-ray Photoelectron Spectroscopy (XPS), while Inductively Coupled Plasma Mass Spectrometry (ICP-MS) was used to determine the composition of the aqueous fluids. Results show that not all geologic H₂-generating reactions involving ultramafic and mafic rocks result in the formation of serpentine, brucite, or magnetite. Our observations suggest that while mineral transformation is significant and may be the predominant mechanism, there is also the contribution of surface-mediated electron transfer and redox cycling processes. The outcome suggests continuous H₂ production beyond mineral phase changes, indicating active reaction pathways. Particularly, in addition to transition metal sites, some ultramafic rock minerals may promote redox reactions, thereby facilitating ongoing H₂ production beyond their direct hydration. Fluid–rock interactions also regenerate reactive surfaces, such as clinochlore, zeolite, and augite, enabling sustained H₂ production, even without serpentine formation. Variation in reaction rates depends on mineralogy and reaction kinetics rather than being solely controlled by Fe oxidation states. These findings suggest that ultramafic and mafic rocks may serve as dynamic, self-sustaining systems for generating H₂. The potential involvement of transition metal sites (e.g., Ni, Mo, Mn, Cr, Cu) within the rock matrix may accelerate H₂ production, requiring further investigation. This perspective shifts the focus from serpentine formation as the primary driver of H₂ production to a more complex mechanism where mineral surfaces play a significant role. Understanding these processes will be valuable for refining experimental approaches, improving kinetic models of H₂ generation, and informing the site selection and design of engineered H₂ generation systems in ultramafic and mafic formations. Full article

Environmental contamination is a critical global concern, primarily due to detrimental greenhouse gas (GHG) emissions, especially carbon dioxide (CO₂), which significantly contribute to climate change. Moreover, the presence of harmful heavy metals like Ni, Cd, Cu, Hg, and Pb in soil and water ecosystems has led to poor water quality. Noble metal nanoparticles (MNPs), for instance, Pd, Ag, Pt, and Au, have emerged as promising solutions for addressing environmental pollution. However, the practical utilization of MNPs faces challenges as they tend to aggregate and lose stability. To overcome this issue, the reverse double-solvent method (RDSM) was utilized to synthesis melamine-based porous polyaminals (POPs) as a supportive material for the in situ growing of silver nanoparticles (Ag NPs). The porous structure of melamine-based porous polyaminals, featuring aminal-linked (-HN-C-NH-) and triazine groups, provides excellent binding sites for capturing Ag⁺ ions, thereby improving the dispersion and stability of the nanoparticles. The resulting material exhibited ultrafine particle sizes for Ag NPs, and the incorporation of Ag NPs within the porous polyaminals demonstrated a high surface area (~279 m²/g) and total pore volume (1.21 cm³/g), encompassing micropores and mesopores. Additionally, the Ag NPs@POPs showcased significant capacity for CO₂ capture (2.99 mmol/g at 273 K and 1 bar) and effectively removed Cu (II), with a remarkable removal efficiency of 99.04%. The nitrogen-rich porous polyaminals offer promising prospects for immobilizing and encapsulating Ag nanoparticles, making them outstanding adsorbents for selectively capturing carbon dioxide and removing metal ions. Pursuing this approach holds immense potential for various environmental applications. Full article

Cu-BTC (HKUST-1) metal–organic framework (MOF) is widely recognized for its carbon capture capability due to its unsaturated copper sites, high surface area, and well-defined porous structure. This study developed mixed matrix membranes (MMMs) using cellulose triacetate (CTA), incorporating bimetallic Ni-Cu-BTC MOFs for CO₂/CH₄ separation, and benchmarked them against membranes fabricated with monometallic Cu-BTC. CTA was selected for its biodegradability, membrane-forming properties, and cost-effectiveness. The optimized membrane with 10 wt.% Ni-Cu-BTC achieved a CO₂ permeability of 22.9 Barrer at 25 °C and 5 bar—more than twice that of pristine CTA—with a CO₂/CH₄ selectivity of 33.8. This improvement stems from a 51.66% increase in fractional free volume, a 49.30% rise in the solubility coefficient, and a 51.94% boost in the diffusivity coefficient. Dual-sorption model analysis further confirmed enhanced solubility and adsorption mechanisms. These findings establish CTA/Ni-Cu-BTC membranes as promising candidates for high-performance CO₂ separation in natural gas purification and related industrial processes. Full article

Natural zeolites have gained attention as low-cost adsorbents for the removal of heavy metals (HMs) from wastewater. However, their performance can be compromised by the presence of competing cations such as ammonium (NH₄⁺). This study investigated the competitive adsorption and desorption dynamics of NH₄⁺ and six HMs (Cd, Cr, Cu, Ni, Pb, and Zn) on two natural zeolites. Batch and column experiments using synthetic wastewater were conducted to evaluate the effects of different NH₄⁺ concentrations, pH, and particle size on HM removal efficiency and desorption effects. Results showed that increasing NH₄⁺ concentrations significantly reduce HM adsorption, with total capacity decreasing by ~45% at 100 mg/L NH₄-N in kinetic tests. Adsorption isotherms of the HM mixture for both zeolite types followed a clear sigmoidal trend, which was captured well by the Hill model (R² = 0.99), with loading rates up to 56.14 mg/g. Pb consistently exhibited the highest affinity for zeolites, while Cd, Cr, Ni, and Zn were most affected by NH₄⁺ competition in the column tests. Desorption tests confirmed that NH₄⁺ rapidly re-mobilises adsorbed metals, in particular Cd, Cu, and Zn. Slightly acidic to neutral pH conditions were optimal for minimising HM remobilisation. These findings underscore the need to consider competitive interactions and operational conditions when applying natural zeolites for HM removal, especially in ammonium-rich environments such constructed wetlands, soil filters, or other decentralised applications. Full article

The discovery and design of high-entropy alloys (HEAs) faces significant challenges due to the vast combinatorial design space and uncertainties in thermodynamic data. This work presents a modular, uncertainty-aware computational framework with the primary objective of accelerating the discovery of solid-solution HEA candidates. The proposed pipeline integrates ensemble thermodynamic modeling, Monte Carlo-based estimation, and a structured three-phase pruning algorithm for efficient search space reduction. Key quantitative results are achieved in two main areas. First, for binary alloy thermodynamics, a Bayesian Neural Network (BNN) ensemble trained on domain-informed features predicts mixing enthalpies with high accuracy, yielding a mean absolute error (MAE) of 0.48 kJ/mol—substantially outperforming the classical Miedema model (MAE = 4.27 kJ/mol). These probabilistic predictions are propagated through Monte Carlo sampling to estimate multi-component thermodynamic descriptors, including $\Delta H_{\mathrm{mix}}$ and the $\mathrm{\Omega }$ parameter, while capturing predictive uncertainty. Second, in a case study on the Al-Cu-Fe-Ni-Ti system, the framework reduces a 2.4 million (2.4 M) candidate pool to just 91 high-confidence compositions. Final selection is guided by an uncertainty-aware viability metric, $P\left(\mathrm{HEA}\right)$, and supported by interpretable radar plot visualizations for multi-objective assessment. The results demonstrate the framework’s ability to combine physical priors, probabilistic modeling, and design heuristics into a data-efficient and interpretable pipeline for materials discovery. This establishes a foundation for future HEA optimization, dataset refinement, and adaptive experimental design under uncertainty. Full article

The aim of this study is to explore the feasibility of using flotation wastewater from copper–porphyry ore processing to synthesize a gel that serves as a precursor for a polymer nanocomposite used in supercapacitor electrode fabrication. These wastewaters—characterized by high acidity and elevated concentrations of metal cations (Cu, Ni, Zn, Fe), sulfates, and organic reagents such as xanthates, oil (20 g/t ore), flotation frother (methyl isobutyl carbinol), and pyrite depressant (CaO, 500–1000 g/t), along with residues from molybdenum flotation (sulfuric acid, sodium hydrosulfide, and kerosene)—are byproducts of copper–porphyry gold-bearing ore beneficiation. The reduction of Ni powder in the wastewater induces the degradation and formation of a gel that captures both residual metal ions and organic compounds—particularly xanthates—which play a crucial role in the subsequent steps. The resulting gel is incorporated during the oxidative polymerization of aniline, forming a nanocomposite with a polyaniline matrix and embedded xanthate-based compounds. An asymmetric supercapacitor was assembled using the synthesized material as the cathodic electrode. Electrochemical tests revealed remarkable capacitance and cycling stability, demonstrating the potential of this novel approach both for the valorization of industrial waste streams and for enhancing the performance of energy storage devices. Full article

Particulate matter (PM) has been associated with various health issues. However, the most hazardous constituents of fine particles remain unclear, particularly in Asia where the chemical compositions are highly diverse and understudied. This study investigated the concentration and health risks of particulate-bound polycyclic aromatic hydrocarbons (PAHs) and heavy metals in the indoor air of religious spaces in Bangkok, Thailand. Air samples were collected from four religious sites during periods of high activity using a six-stage NanoSampler to capture particle sizes ranging from <0.1 to >10 µm. Chemical analyses were conducted using gas chromatography-mass spectrometry (GC-MS/MS) for PAHs and inductively coupled plasma-mass spectrometry (ICP-MS) for heavy metals. The results revealed significantly elevated concentrations of PM2.5, PAHs (notably benzo[a]anthracene (BaA), chrysene (CHR), and fluoranthene (FLU)), and heavy metals (particularly Mn, Ni, and Cu). Health risk assessments indicated that both the incremental lifetime cancer risk (ILCR) and hazard quotient (HQ) values for several pollutants exceeded the U.S. EPA safety thresholds, suggesting serious cancer and non-cancer health risks for workers exposed to these environments over prolonged periods. This study highlights incense burning as a dominant source of toxic indoor air pollutants and underscores the urgent need for mitigation strategies to reduce occupational exposure in religious buildings. Full article