Search Results (3,795)

The removal of excessive amounts of antibiotics from water systems is of great benefit due to their adverse effects on the ecosystems, living organisms and the persistent increase in antibiotic resistance cases. This study was focused on the adsorption of vancomycin from a simulated aqueous medium using seaweed, a sustainable and low-cost adsorbent. Also, the work focuses on assessing the influence of surface modification on adsorption behaviour and determining if chemical treatment provides improvements over untreated seaweed. In particular, chemically modified seaweed and raw (non-modified) seaweed were assessed as adsorbents suitable for removing traces of vancomycin from water, as gauged from the results of High-Performance Liquid Chromatography (HPLC). In addition, Scanning Electron Microscopy (SEM), Fourier Transform Infrared spectroscopy (FT-IR) and the pH point of zero charge (pHpzc) were used to measure the surface characteristics of these adsorbents. The degree of antibiotic adsorption was evaluated as a function of different factors, including the pH, adsorbent dosage, contact time, ionic strength and initial concentration of vancomycin. Thermodynamic parameters, such as the enthalpy change (∆H°), the entropy change (∆S°) and the free-energy change (∆G°), were calculated. The FTIR analysis indicates that functional groups, such as carbonyl and hydroxyl groups, were involved in the adsorption process, and their modification influenced adsorption behaviour. It was observed that the adsorption of vancomycin by the modified seaweed was slightly lower (±94%) compared to the level achieved for the raw seaweed (±97%). These figures were obtained with an initial concentration of vancomycin of 25 µg/mL, a pH of the aqueous solution of 7.0, an adsorbent dose of 0.2 g and a contact time of 120 min. The results showed that untreated seaweed exhibited slightly higher adsorption efficiency than the treated seaweed, suggesting that chemical modification might not have enhanced adsorption performance. The thermodynamic parameters suggested that the adsorption process was exothermic and that adsorption was favourable for the untreated seaweed and less favourable for the treated seaweed. Regeneration studies showed a decrease in adsorption efficiency over repeated cycles. Although the adsorption capacity is lower than that of advanced nanomaterials, the use of seaweed offers an advantage in terms of low cost, availability and environmental sustainability. The comparable efficiency of the modified and untreated seaweed adsorbent suggests that seaweed adsorbents can be used as viable bio-adsorbents for the decontamination of water. Full article

Starch synthesis is critical for crop yield and quality and is regulated and coordinated by a series of key enzymes encoded by starch synthesis-related genes (SSRGs). Although this process is well characterized in many crops, the genomic location and expression patterns of SSRGs in wheat remain unclear. Here, we performed a genome-wide analysis and identified 78 SSRGs in wheat, classified into the AGPase, SSS, GBSS, SBE, and DBE subfamilies. SSRGs within each subfamily showed conserved motifs and domain organization. RNA-seq analysis indicated that most SSRGs are expressed during early grain development. We further examined genetic variation in SSRGs across wheat and its progenitors using re-sequencing data. Diploid wheat showed greater genetic differentiation and diversity than tetraploid and hexaploid wheat. Five SSRGs exhibited significant haplotype differences between emmer wheat and common wheat; emmer wheat displayed diverse haplotypes, whereas common wheat showed a single dominant haplotype. Finally, starch characteristics differed between emmer wheat and common wheat in amylose content and thermodynamic properties, while viscosity, crystal structure, and morphology were largely similar. Overall, this study systematically characterizes SSRGs in wheat and provides insights for improving starch quality. Full article

Given the increasing demand for low-phosphorus molten iron in high-value-added steel production and the rising phosphorus content in raw materials caused by the use of high-phosphorus ores in blast furnaces, the traditional converter single-slag process faces challenges such as high dephosphorization pressure, high slag consumption, and unstable endpoint control. This study systematically investigates the process principles and key influencing factors of the converter double-slag method (MURC process) as an efficient pretreatment technology for molten iron. Through thermodynamic analysis combined with industrial tests, the core process parameters affecting dephosphorization efficiency were identified, including temperature, slag basicity (R), iron oxide (T.Fe) content, and bottom-blowing stirring intensity. The results show that the optimal temperature during the dephosphorization stage is 1350–1400 °C, with slag alkalinity controlled at 1.6–2.0 and T.Fe content maintained at 19–23%. During the decarburization stage, the optimal temperature is 1620–1640 °C, and the final slag alkalinity should be increased to above 3.5. After applying the optimized “low-high-low” oxygen supply pattern and enhanced bottom-blowing stirring (0.04–0.20 Nm³/(t·min)), significant improvements were achieved in industrial practice on 180-t and 60-t converters. Lime consumption was reduced by more than 30%, the average endpoint phosphorus content decreased by approximately 0.005%, the phosphorus removal rate remained stable at above 90%, and the oxygen content in molten steel at the endpoint decreased by 50–100 ppm. This study provides a systematic theoretical basis and practical guidance for efficient and stable dephosphorization using the converter double-slag process. Full article

This study proposes a comparative screening framework for evaluating the feasibility of low-temperature clinker production using waste-derived raw meals. The framework integrates compositional compatibility, process conditions, clinker-formation indicators, melt-related constraints, and cement performance into a unified four-stage evaluation logic. A secondary-data analysis was conducted using three benchmark sources representing waste-derived substitution, mineralizer-assisted reduced-temperature clinker formation, and thermodynamic screening. The results show that MSWI bottom ash remains compositionally feasible only up to approximately 12.4 wt.% substitution, primarily limited by Fe₂O₃ content. In the mineralizer benchmark, clinker produced at 1350 °C with 0.067 wt.% F and 2.2 wt.% SO₃ exhibited burnability and performance comparable to a 1450 °C reference, whereas further reduction to 1300 °C required 0.270 wt.% F and resulted in reduced density, delayed setting, and lower compressive strength. These results demonstrate that reduced-temperature clinker feasibility depends not only on temperature reduction but also on compositional balance and melt-phase behavior. The proposed framework enables classification of candidate systems as favorable, conditionally feasible, or constrained prior to experimental validation and can serve as a preliminary decision-support tool for waste-derived clinker design. Full article

Conventional powdered biochar encounters severe bottlenecks in practical water treatment, such as difficult separation, easy loss, and potential secondary pollution. This work aimed to develop recyclable and high-performance adsorbents by preparing iron-doped biochar/sodium alginate composite microspheres (BC/MBC500-ALF) through Fe³⁺ cross-linking. Using corn stalk biochar and KMnO₄-modified biochar as adsorbent components and sodium alginate (SA) as a green shaping matrix, SA formed a stable egg-box hydrogel network to convert powdered biochar into uniform microspheres. Batch adsorption experiments revealed that the optimal pH for oxytetracycline (OTC) adsorption was 9, with adsorption capacities of 136.28 mg/g for BC500-ALF and 182.91 mg/g for MBC500-ALF. Kinetic analysis showed that BC500-ALF followed pseudo-first-order kinetics (R² = 0.983) dominated by physisorption, while MBC500-ALF fitted pseudo-second-order kinetics (R² = 0.994) dominated by chemisorption. The maximum Langmuir adsorption capacities at 308 K were 220.75 mg/g and 495.05 mg/g, respectively. Thermodynamic parameters confirmed a spontaneous and endothermic process. The adsorption mechanisms involved hydrogen bonding, π–π stacking, electrostatic attraction, metal-bridging complexation, and Fe–Mn oxide-mediated redox reactions. SA exerted dual functions in structure stabilization and adsorption enhancement. This composite provides an efficient and eco-friendly approach for tetracycline antibiotic pollution control in aqueous environments. Full article

The goal of laser polishing (LP) is to improve the surface quality of functional parts, components, and assemblies. LP is a complex nonlinear thermophysical process, in which laser radiation induces localized melting of a material with an initially rough surface topography. During LP, the thermodynamic state evolves dynamically due to transient melt flow, heat transfer, and rapid solidification within the laser–material interaction zone. A smooth surface is formed through the interplay between surface tension-driven flow, which promotes energy minimization, and nonequilibrium effects associated with melting and solidification. From the perspective of self-organization, LP can be interpreted as an open system driven by energy input, where complex material redistribution leads to the evolution of surface topography. In this work, the self-organization of molten material is analyzed using chaos-based descriptors, including the Lyapunov exponent, phase portrait, approximate entropy, and the Hurst exponent, calculated from measured surface topographies before and after laser polishing. The results show that LP acts as a spatial low-pass filter, reducing high-frequency surface components associated with micromilling marks, and exhibits a directional bias in material redistribution relative to the laser scanning direction. Among the evaluated descriptors, the Lyapunov and Hurst exponents demonstrate consistent behaviors, indicating their suitability as robust indicators of surface state in post-process analysis. For the investigated conditions (Inconel 718), a laser fluence of 158.3 mJ/cm² provided the best-achieved surface quality, corresponding to an improvement in surface roughness (Ra) of approximately 70% and the lowest Lyapunov exponent of 1.966 and highest Hurst exponent of 0.859. This study demonstrates that chaos-based analysis of surface topography provides a phenomenological framework for assessing process stability and surface evolution, offering a basis for thermophysics-informed development of LP in applications such as mold and die manufacturing. Full article

This study presents a combined numerical and experimental investigation of transient multiphase compressible flow inside a profiled-rotor rotary volumetric compressor. While most existing studies rely on high-fidelity CFD approaches, a low-order thermodynamic chamber-based model implemented in MATLAB Release 2023a is proposed to predict the temporal evolution of pressure, temperature, and vapor volume fraction during the compression cycle. The model is based on mass and energy conservation applied to variable-volume control chambers and incorporates a simplified cavitation criterion derived from local pressure relative to saturation vapor pressure. An open-loop experimental test bench was developed to measure air mass flow rate, suction and discharge pressures, temperatures, torque, and shaft power under controlled operating conditions. These measurements are used to validate the numerical predictions. The results show good agreement between measured and simulated pressure levels and global performance indicators, with deviations quantified using mean absolute percentage error values remaining below 5% over the investigated operating range. The numerical analysis further reveals the occurrence of localized low-pressure zones during the suction phase, indicating incipient cavitation or microbubble formation at specific rotor positions. The proposed modeling approach provides a computationally efficient alternative to full CFD simulations and enables rapid parametric analysis of rotor geometry and operating conditions. The cavitation formulation does not aim to resolve detailed bubble dynamics or erosion mechanisms, but rather to identify cavitation tendency based on thermodynamic pressure thresholds. Full article

Sunset Yellow is a water-soluble synthetic dye resistant to degradation and stable under various conditions, posing an environmental challenge. In the present study pure chitosan hydrogel (PCH) films were synthesized, followed by the assessment of sorption capacity and recyclability compared to chitosan-based films doped with niobium oxide (CHN) or activated carbon (CHC). The aim was to promote the application of sorption methods for Sunset Yellow dye using these films as a treatment option for the pollutant, with the analysis of the effectiveness of the method and its behavior using adsorption kinetic models and thermodynamic analysis. Equilibrium was reached at 240 min for all films tested, with the adsorbed amounts ranging from 18.58 to 18.79 mg g⁻¹ at 30 °C, when the highest kinetic rate constants were observed. The pseudo-first-order kinetic model best described the experimental data, with the lowest Bayesian information criterion, Akaike information criterion, and mean absolute error values. Thermodynamic analysis indicated a spontaneous, exothermic process, with interactions ranging from electrostatic interactions in CHC and PCH to physisorption in CHN. Recycling tests showed 80% efficiency after the third cycle for all three films. These findings highlight the potential of chitosan-based films as an efficient option for removing Sunset Yellow dye from water, thus improving water quality and enhancing wastewater treatment. Full article

Ground source heat pump (GSHP) systems, while energy-efficient, often face persistent soil thermal imbalance in heating-dominated severe cold regions, which undermines their long-term performance and sustainability. This study proposes a TRNSYS-GenOpt framework for the life-cycle cost optimization of hybrid GSHP systems integrating electric boilers and geothermal regulation towers. A transient model for a 5650 m² fire station in Changchun was developed, employing the Hooke–Jeeves algorithm to co-optimize boiler capacity, borehole depth, and geothermal regulation tower airflow under constraints on heating supply temperature and soil thermal balance. Time-of-use electricity pricing was incorporated for realistic operational economics. The optimized configuration (148 m, 864.8 kW, 290,400 m³/h) achieved a minimum 20-year life-cycle cost of CNY 1.13 million. Sensitivity analysis revealed “rigid design, flexible cost” characteristics: optimal parameters remained invariant across discount rate variations (3.5–7.5%) and equipment costs (±20%), while life-cycle cost showed the highest sensitivity to electricity pricing and discount rates. The long-term simulation confirmed compliance with all physical constraints. This methodology demonstrates that thermodynamic constraints supersede economic trade-offs in severe cold climates, providing engineers with a reliable tool for sustainable hybrid geothermal system design. Full article

A novel open-loop thermosyphon heat engine driven by low-temperature waste heat is proposed for simultaneous power generation and freshwater production. Large quantities of low-grade thermal energy from sources such as data centres remain underutilised due to the limited efficiency and mechanical complexity of conventional heat engines at low temperatures. The proposed system employs thermosyphon-driven circulation and gravity-assisted condensate return, eliminating mechanical pumping and reducing parasitic losses. A mathematical model was developed to evaluate system performance under low-grade heat input conditions. For a baseline case with 50% turbine isentropic efficiency and 5000 W thermal input, the model predicts an overall efficiency of 3.8% and freshwater production of 143 kg/day. A parametric study was conducted to identify the dominant performance parameters and assess sensitivity to operating conditions. While the predicted power output does not exceed that of optimised Organic Rankine Cycle systems, the proposed configuration offers reduced mechanical complexity and inherent freshwater production through phase change. Unlike membrane-based desalination systems, the open-loop design can accommodate high-salinity feeds, including concentrated brine streams, enabling high recovery operation. These characteristics suggest potential application in low-temperature waste heat recovery scenarios where simplified operation, high-salinity tolerance, and combined energy–water generation are desirable. Full article

In this study, we evaluated various density functional theory (DFT) methods to obtain thermodynamic parameters, such as enthalpy and Gibbs free energy, and compared them with experimental values obtained from conductometric analysis. As a model system, we chose the heptakis(2,6-di-O-methyl)-β-cyclodextrin (DIMEB) complex with the recently synthesized fluorinated compound, butane-1,4-diyl bis(2,2,2-trifluoroethane-1-sulfonate) (BFS). The analysis was carried out in the temperature range of 293.15–313.15 K. A conformational search was performed to identify the most stable complexes. The final stage of optimization was conducted at the ωB97X-D4/6-31G(d,p) level of theory in the presence of water, modeled using the conductor-like polarizable continuum model (CPCM). The thermodynamic analysis indicates that almost all theoretical methods overestimate the enthalpy and Gibbs free energy. This also applies to Minnesota functionals, which are commonly recommended for thermochemistry studies. The best agreement with experimental results was obtained for the composite methods r²SCAN-3c and PBEh-3c, with the coefficient of determination (R² = 0.9972) indicating excellent correlation between r²SCAN-3c and experiment. Full article

Traditional analyses of transport phenomena rely on prescribed geometric boundaries, yet natural flow systems dynamically evolve their architecture to maximize access to currents. To address this disparity, we propose a field-theoretic framework for the constructal law that treats physical geometry as a dynamic state variable, represented by a time-dependent conductivity tensor. Using a variational approach grounded in non-equilibrium thermodynamics, we derive a general tensor evolution equation. Within this framework, macroscopic flow architecture emerges deterministically from the continuous competition between non-linear flux-induced accretion, linear entropic relaxation, and spatial smoothing. Scaling analysis reduces this dynamic to a tri-parameter dimensionless phase space: a morphogenic number driving structural growth, a structural diffusion number governing spatial coherence, and a stochastic intensity number providing the microscopic seeds for symmetry breaking. Our principal result is the analytical prediction of a critical bifurcation. When the local morphogenic number strictly exceeds unity, the system escapes its stable, isotropic configuration and branches into highly conductive, anisotropic architectures. We demonstrate the predictive validity and trans-scalar applicability of this continuum theory by mapping it to highly diverse phase transitions, successfully capturing phenomena ranging from microscopic aerosol agglomeration and microbial resistance, to macroscopic coral plasticity and crystal growth instabilities, and finally to the astrophysical launching of relativistic jets from black holes. Full article

Molten salt chlorination is a key industrial route for producing titanium tetrachloride (TiCl₄), yet the atomistic catalytic role of iron (Fe) in the carbothermic chlorination of titanium oxides remains unclear. Here, the chlorination behavior of the NaCl–C–Cl₂–FeTiO₃ system was investigated by combining thermodynamic calculations with Ab Initio Molecular Dynamics (AIMD) and Deep Potential Molecular Dynamics (DPMD) simulations. AIMD results show that carbon adjacent to Fe exhibits enhanced reactivity, and that Fe-C synergistic electron transfer promotes both titanium oxide reduction and subsequent titanium chlorination. DPMD results further reveal that Fe not only accelerates these transformations, but also improves interfacial contact among carbon, titanium oxides, and molten salt, thereby enhancing mass transfer and shortening the formation time of TiCl₄. Temperature-dependent analysis indicates that Fe-C and C-O coordination numbers remain high near 1073 K, where TiCl₄ formation is efficient and relatively stable. Although increasing temperature can further enhance diffusion, its effect on reaction acceleration is limited, while excessively high temperatures weaken Fe-C interactions and reduce catalytic efficiency. These findings clarify the catalytic mechanism of Fe in molten salt chlorination at the atomic scale and provide theoretical support for process optimization. Full article

Accurate retrieval of visibility grades is critical for transportation safety. Due to the highly complex meteorological backgrounds, traditional global deep learning models frequently struggle with limited physical traceability and feature heterogeneity. To address these challenges by enhance physical traceability and reduces heterogeneity, this study proposes a scenario-adaptive visibility retrieval framework based on multi-source synergy, namely TabPFN-ExtraTrees (TabPFN-ET), targeting major transportation routes in Anhui Province, China. Fusing Fengyun-4 (FY-4A/4B) satellite multispectral observations with ground meteorological data, this framework utilizes the divide-and-conquer routing mechanism of ExtraTrees to decouple the complex, heterogeneous feature space into highly homogeneous sub-scenarios. Subsequently, the TabPFN model conducts high-precision inference within each specific subspace. Evaluations on a class-balanced benchmark demonstrate that TabPFN-ET achieves an Overall Accuracy of 0.681, outperforming baseline models such as SAINT across various metrics. Furthermore, this paper conducts a physically consistent analysis of the framework. Feature importance and node profiling corroborate its physical consistency: the FY-4 upper-level water vapor channel (Channel 09) and near-surface humidity act as the macroscopic atmospheric stability and microscopic thermodynamic constraints, respectively, driving the model’s scene decoupling and inference. Cross-regional tests in Jiangsu provide preliminary indications of context-specific transferability. Full article

For offshore renewable energy planning and intelligent power management, access to long-term, high-resolution, and physically consistent meteorological and power generation records is essential. Such data supports a wide range of tasks, including resource assessment, hybrid system capacity sizing, grid operation planning, and data-driven forecasting model development. This article presents the construction of a 10-year continuous hourly dataset for 16 deep-sea grid sites in the Beibu Gulf, China, spanning from January 2016 to December 2025. The raw meteorological variables, including 10 m wind speed, wind direction, solar irradiance, and 2 m air temperature, were retrieved from the NASA POWER satellite database and subsequently cleaned using a 24 h periodic substitution algorithm designed to preserve the physical integrity of daily weather cycles. The dataset is organized into two sub-datasets, the Historical Weather Dataset and the Normalized Power Yield Dataset, with the latter providing normalized wind and solar power outputs on a 1.0 per-unit (p.u.) basis derived from a wind turbine power curve model and a PV thermodynamic model. All 32 CSV files are freely accessible online with UTF-8 encoding. The utility of the dataset is illustrated through two representative application cases including offshore site selection with hybrid capacity sizing and physics-informed deep learning forecasting, demonstrating its suitability for both engineering analysis and machine learning model development. Full article