Search Results (3,788)

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

Iso-cetane serves as an ideal component representing branched-chain alkanes in surrogate fuels for diesel. However, the predictive accuracy of existing detailed chemical kinetic models for iso-cetane requires improvement. In this study, focusing on the reaction processes of iso-cetane and its key intermediates, we first updated the thermodynamic data of iso-cetane and some of its intermediates, systematically analyzed the effects of various reactions on ignition delay time (IDT), and made targeted modifications to the relevant reaction rate constants. The reaction types involved include fuel cracking reactions of iso-cetane, hydrogen abstraction reactions, cracking reactions of fuel radicals, as well as the oxidation of fuel radicals, isomerization of alkylperoxy radicals (RO₂ )  concerted elimination reactions, formation of cyclic ethers, and the formation and decomposition of ketohydroperoxides (KHP). Additionally, reactions related to the formation and consumption of p-alkyl-dihydroperoxides (P(OOOH)₂) were supplemented. Based on the above work, we developed a detailed chemical kinetic model for iso-cetane, comprising 4541 species and 18,359 elementary reactions. Through systematic validation against experimental data on ignition delay time and concentration variations of key species during oxidation, the improved predictive performance of the proposed model was demonstrated. Furthermore, using sensitivity analysis and reaction pathway analysis for the ignition process, we revealed that the formation of the low-temperature negative temperature coefficient (NTC) region for iso-cetane is intrinsically associated with the competition between chain-branching and chain-propagating pathways. Full article

Hydrogen is a key energy carrier for the transition to renewable energy, but its storage remains a major challenge, mainly due to the energy requirements for its production and to its low volumetric energy density under ambient conditions. Clathrate hydrates have recently emerged as a promising medium for gas storage, yet their potential for hydrogen storage is still underexplored. This study presents a comprehensive bibliometric analysis of hydrogen storage research, focusing on clathrate hydrates. The analysis, based on publications indexed in Scopus over the past decades, reveals that research on gas hydrates is mature and interdisciplinary, encompassing hydrate formation, thermodynamics, and production from natural reservoirs. In contrast, hydrogen hydrates remain a marginal and emerging research area, characterized by limited scientific output and weak connections to dominant storage strategies such as metal hydrides, metal–organic frameworks, and adsorptive materials. The results highlight key research gaps, including a limited understanding of formation kinetics, thermodynamic stability under practical conditions, and challenges related to scalability and system integration. These findings suggest that targeted research efforts addressing these bottlenecks could support the development of hydrate-based systems as complementary solutions within the broader hydrogen storage landscape. Full article

To address the problems of insufficient precision reserve, limited rotational speed, and excessive temperature rise in high-speed ultra-precision machine tool spindle bearings, the influence of frictional power loss on the thermo-mechanical behavior of the bearing system was investigated. Firstly, based on the analysis of the heat source of the bearing, the friction power consumption model of the bearing assembly is established, and the analysis of the bearing temperature field is realized by studying the heat energy transfer. Secondly, the test bench is built for experimental verification. Finally, through the study of thermal-mechanical coupling performance, the influence of different rotational speeds on bearing stress and life is analyzed. The results show that the friction power consumption generated by the spin sliding of the bearing rolling element accounts for the largest proportion, accounting for 31% of the total friction power consumption; the increase in bearing speed will increase the bearing temperature. At 55,000 r/min, the highest temperature at the rolling element is close to 75 °C, followed by the inner ring up to 68 °C, and the lowest outer ring temperature is 57 °C. The temperature has a great influence on the bearing performance. Under the same working conditions, the equivalent stress is increased by 21%, the contact pressure is increased by 25%, and the fatigue life of the bearing is reduced by 5.6%. Bearing performance is significantly affected by thermodynamic behavior. Full article

Hybrid rocket engines offer a compromise between safety, controllability, and performance, making them attractive for small-scale propulsion systems. However, oxidizer selection remains a critical early-stage design decision that cannot be determined solely from ideal thermodynamic metrics. This study presents a comparative analysis of three oxidizers—nitrous oxide (N₂O), gaseous oxygen (GOX), and liquid oxygen (LOX)—for a 1 kN-class hybrid rocket engine using HDPE fuel under identical operating conditions. Equilibrium combustion performance was first evaluated using NASA Chemical Equilibrium with Applications (CEA) to determine optimal oxidizer-to-fuel ratios and theoretical specific impulse. These results were subsequently refined using Rocket Propulsion Analysis (RPA) to incorporate finite combustion chamber geometry and non-ideal nozzle expansion effects. The equilibrium analysis predicts maximum specific impulses of approximately 260 s for N₂O/HDPE and nearly 300 s for oxygen-based systems. However, finite-geometry modelling indicates that practical performance is reduced by approximately 5–8%, yielding delivered specific impulses of about 275 s for GOX and 272 s for LOX. The results demonstrate that although oxygen (GOX and LOX) provides higher thermodynamic performance, the practical advantage of LOX over GOX becomes marginal at the kilonewton scale. Consequently, oxidizer selection for small hybrid engines should be treated as a system-level trade-off involving performance, infrastructure complexity, and operational safety. Full article

The simultaneous analysis of geometric morphology and thermodynamic states from heterogeneous sensing modalities is essential for high-temperature industrial inspection. While supervoxel segmentation is effective for extracting fine structures, conventional fixed-weighting schemes often struggle with the inherent heterogeneity between spatial sensors and thermal sensors. This paper proposes a segmentation framework for thermo-geometric point clouds based on Pareto-optimal weight learning and gradient anisotropy. A multi-objective evolutionary optimization algorithm is employed for multi-modal Pareto weight learning to adaptively balance geometric and thermal constraints. The developed gradient-anisotropic supervoxel generation algorithm introduces a local saliency factor to achieve fine-grained thermodynamic segmentation. Furthermore, a gradient damping mechanism is implemented to ensure high thermal-boundary adherence even in geometrically planar regions by imposing anisotropic penalty forces. Finally, a region-growing method based on the optimized multi-sensor fusion weights is utilized to merge similar supervoxels. Experimental results demonstrate that our approach outperforms traditional baselines by achieving high-fidelity thermal segmentation and multi-modal boundary preservation, while accepting a modest and necessary compromise in geometric compactness to accommodate spatial–thermal inconsistencies. Full article

Economic entropy, as an emerging concept in econophysics, has gained increasing relevance in the analysis of complex systems characterized by uncertainty, nonlinearity, and out-of-equilibrium dynamics. However, its integration into conventional economic modeling—particularly in production functions such as the Cobb–Douglas function—remains fragmented and lacks systematic empirical validation. This study conducts a scientometric analysis of 345 Scopus-indexed documents (1973–2024) addressing the intersection between entropy, econophysics, and production functions, with the aim of mapping the intellectual structure of the field, characterizing its growth trends, identifying its core contributions, and highlighting its main research gaps. The results reveal that the field has experienced sustained growth since 2004, with a notable acceleration between 2020 and 2023, although it exhibits a fragmented authorship structure that does not conform to Lotka’s Law, suggesting that the field is still in a stage of scientific consolidation. The Cobb–Douglas function emerges as a niche topic within the econophysics literature, with limited integration between entropy-based approaches—informational, thermodynamic, and maximum entropy—and the empirical modeling of production. Furthermore, weak citation linkages between econophysics and conventional economics are observed, confirming the interdisciplinary fragmentation of the field. These findings provide a structured reference for researchers interested in advancing toward analytical frameworks that explicitly incorporate uncertainty, information, and physical constraints into economic analysis, thereby contributing to the development of econophysics as an integrative discipline. Full article

Metal-functionalized boron nitride nanostructures represent promising platforms for lightweight solid-state hydrogen storage. In this work, we perform a comprehensive density functional theory (DFT) investigation of pristine and metal-decorated B₄N₄ quantum dots (M = Li, Ti) to evaluate their structural stability, adsorption energetics, and near-ambient storage performance. Pristine B₄N₄ is highly stable but interacts weakly with H₂ (E_ads ≈ −0.12 eV), leading to negligible uptake under operating conditions. Li decoration moderately enhances adsorption through charge-induced polarization (E_ads ≈ −0.15 eV) but offers limited stabilization beyond the first few molecules. In contrast, Ti decoration fundamentally reshapes the interaction landscape, strengthening electrostatic, polarization, and dispersion contributions and enabling significantly stronger yet reversible H₂ binding (E_ads ≈ −0.36 eV). Sequential adsorption calculations predict maximum theoretical capacities of 14, 18, and 20 H₂ molecules for pristine, Li-, and Ti-decorated systems, respectively. Grand canonical thermodynamics show that Ti–B₄N₄ retains nearly its full loading at 30 bar and 298 K, while pristine and Li-decorated clusters store only negligible amounts. Under desorption conditions (3 bar, 373 K), Ti–B₄N₄ releases most of its stored hydrogen, yielding an exceptional reversible capacity of 15.1 wt%. Energy decomposition analysis attributes this performance to cooperative electrostatic, polarization, and dispersion enhancements. Ti–B₄N₄ emerges as a highly promising theoretical candidate, warranting future experimental validation. Full article