Search Results (155)

This study addresses the urgent demand for low-GWP refrigerant alternatives in rail vehicle air-conditioning systems by proposing a novel binary mixture, ZT01 (R13I1/R32 = 0.6/0.4 by mass), as a replacement for R407C. A comprehensive evaluation combining thermodynamic cycle modeling, refrigerant property analysis, and experimental validation shows that ZT01 delivers a coefficient of performance (COP) comparable to R407C, while providing a 45–49% improvement in volumetric cooling capacity, enabling smaller compressor displacement for the same cooling output, and reducing specific compressor work by 13–21%. In addition, ZT01 maintains a lower compression ratio, exhibits non-flammability, is compatible with POE lubricant, and has a GWP of only 308. Life Cycle Climate Performance (LCCP) analysis further indicates a 6.88% reduction in total carbon emissions and a 77.4% reduction in direct emissions compared to R407C, demonstrating that ZT01 is both technically feasible and environmentally sustainable for green retrofitting of rail vehicle HVAC systems. Full article

A multiscale thermodynamic model is considered, in which cosmological dynamics enforce persistent non-equilibrium conditions through recursive energy exchange across hierarchically ordered subsystems. The internal energy of each subsystem is recursively determined by energetic interactions with its subcomponents, forming a nested hierarchy extending up to cosmological scales. The total energy of the universe is assumed to be constant, imposing global consistency conditions on local dynamics. On the quantum scale, subsystems remain thermodynamically constrained in their accessible state space due to the unresolved energetic embedding imposed by higher-order couplings. As a result, quantum behavior is interpreted as an effective projection of unresolved thermodynamic interactions. In this view, the wave function serves as a mathematical representation of a subsystem’s thermodynamic embedding, summarizing the unresolved energetic couplings with its environment, as shaped by recursive interactions across cosmological and microscopic scales. Phenomena such as zero-point energy and vacuum fluctuations are thereby understood as residual effects of structural energy constraints. Classical mechanics arises as a limiting case under full energetic resolution, while the quantum formalism reflects thermodynamic incompleteness. This formulation bridges statistical mechanics and quantum theory without metaphysical assumptions. It remains fully compatible with standard formalism, offering a thermodynamic interpretation based solely on energy conservation and hierarchical organization. All effects arise from scale-dependent resolution, not from violations of established physics. Full article

Epoxy asphalt is a superior polymer-modified asphalt material; however, significant differences in physicochemical properties, such as solubility parameters and dielectric constants, between epoxy resin and asphalt have led to compatibility issues that hinder its development. This study employed molecular dynamics simulations to investigate the effect of maleic anhydride-grafted styrene-butadiene-styrene (MAH-g-SBS) on the compatibility of epoxy asphalt. By analyzing parameters such as cohesive energy density, solubility parameters, energy distribution, interaction energy, radial distribution function, free volume fraction, and mean square displacement, the molecular mechanism underlying the enhanced compatibility was elucidated. The results indicate that the amphiphilic molecular structure of MAH-g-SBS significantly improves the thermodynamic compatibility between asphalt and epoxy resin, enhances interfacial affinity and stability, reduces the system’s total interaction and nonbonded energies, facilitates the dispersion and permeation of epoxy molecules into asphalt, and increases molecular mobility, thereby comprehensively enhancing the compatibility of the epoxy asphalt blend. Segregation tests and fluorescence microscopy further verified the simulation results, demonstrating that MAH-g-SBS improves the storage stability and phase uniformity of the epoxy asphalt system. Full article

The thermophysical behavior of solids (such as oxide compounds, for example) is crucial in applied physics and engineering, with particular regard to heterogeneous catalysis, sensors, high-temperature superconductors, and solid-state batteries. Research in geometric nonlinear theory has provided insights into crystal symmetry and phase compatibility under thermal and elastic stress. High-temperature stress significantly affects phase stability, making an understanding of solid thermodynamics essential for material performance. This study focuses on the mechanical and thermal interactions in solids, analyzing variations in mechanical stress and strain under extreme conditions. We propose a theoretical approach for a thermophysical model that, based on the study of the properties of the global thermal behavior of solids, can describe the thermodynamic effects of elastic deformations. Elastomers are used as a case study to validate the proposed approach. Full article

The crystallization of soluble salts is one of the most significant agents of deterioration affecting porous building materials in historical architecture. This process not only compromises the physical integrity of the materials but also results in considerable aesthetic, structural, and economic consequences. Soluble salts involved in these processes may originate from geogenic sources—including soil leachate, marine aerosols, and the natural weathering of parent rocks—or from anthropogenic factors such as air pollution, wastewater infiltration, and the use of incompatible restoration materials. This study examines the role of capillary rise as a primary mechanism responsible for the vertical migration of saline solutions from the soil profile into historic masonry structures, especially those constructed with calcareous stones. It describes how water retained or sustained within the soil matrix ascends via capillarity, carrying dissolved salts that eventually crystallize within the pore network of the stone. This phenomenon leads to a variety of damage types, ranging from superficial staining and efflorescence to more severe forms such as subflorescence, microfracturing, and progressive mass loss. By adopting a multidisciplinary approach that integrates concepts and methods from soil physics, hydrology, petrophysics, and conservation science, this paper examines the mechanisms that govern saline water movement, salt precipitation patterns, and their cumulative effects on stone durability. It highlights the influence of key variables such as soil texture and structure, matric potential, hydraulic conductivity, climatic conditions, and stone porosity on the severity and progression of deterioration. This paper also addresses regional considerations by focusing on the context of Spain, which holds one of the highest concentrations of World Heritage Sites globally and where many monuments are constructed from vulnerable calcareous materials such as fossiliferous calcarenites and marly limestones. Special attention is given to the types of salts most commonly encountered in Spanish soils—particularly chlorides and sulfates—and their thermodynamic behavior under fluctuating environmental conditions. Ultimately, this study underscores the pressing need for integrated, preventive conservation strategies. These include the implementation of drainage systems, capillary barriers, and the use of compatible materials in restoration, as well as the application of non-destructive diagnostic techniques such as electrical resistivity tomography and hyperspectral imaging. Understanding the interplay between soil moisture dynamics, salt crystallization, and material degradation is essential for safeguarding the cultural and structural value of historic buildings in the face of ongoing environmental challenges and climate variability. Full article

Thermodynamic systems admit multiple equivalent descriptions related by transformations that preserve their fundamental structure. This work focuses on exact isohomogeneous transformations (EITs), a class of mappings that keep fixed the set of independent variables of the thermodynamic potential, while preserving both the original homogeneity and the validity of a first law. Our investigation explores EITs within the extended Iyer–Wald formalism for theories containing free parameters (e.g., the cosmological constant). EITs provide a unifying framework for reconciling the diverse formulations of Kerr-anti de Sitter (KadS) thermodynamics found in the literature. While the Iyer–Wald formalism is a powerful tool for deriving first laws for black holes, it typically yields a non-integrable mass variation that prevents its identification as a proper thermodynamic potential. To address this issue, we investigate an extended Iyer–Wald formalism where mass and thermodynamic volume become gauge dependent. Within this framework, we identify the gauge choices and Killing vector normalizations that are compatible with EITs, ensuring consistent first laws. As a key application, we demonstrate how conventional KadS thermodynamics emerges as a special case of our generalized approach. Full article

Poly(lactic acid) (PLA) holds significant promise as an option in the field of packaging materials due to its biodegradability and antibacterial properties. Therefore, it is vital for developing packaging materials while improving their heat resistance, and transparency is essential for guaranteeing its application. Using a self-assembled nucleating agent with hydrogen bonding and thermodynamically compatible transparent polymethyl methacrylate (PMMA), this study fabricated PLA micro-crystals with an interface blurred grain. Furthermore, the crystalline structure-property relationship was investigated in different isothermal crystallization conditions; it was possible to achieve higher crystallinity while maintaining the transparency of PLA/10 wt% PMMA/0.3 wt% nucleating agent blends. Compared to other temperatures, the crystallization rate of PLA blends under annealing conditions at 90 °C was higher when induced by three different nucleating agents. Particularly, in the presence of the TC-328 nucleating agent, the system exhibited a crystallinity of 32%, the smallest grain size, and an increased Tg of 61.3 °C, as well as an elevated heat deformation temperature (HDT) from 54.13 °C to 63.2 °C. The smaller nucleating agents with high surface energy enhanced the interaction between the PLA and PMMA, enhancing the PLA/PMMA tensile strength and HDT. These findings may pave the way for designing novel blends for packaging or heat-resistant devices. Full article

Heavy fuel oil (HFO) is a widely used fuel in compression ignition engines, primarily in Brazilian thermoelectric plants, mainly due to its availability, low cost, and low operational expenses. However, heavy fuel oil is not compatible with most diesel engines and combustion systems in use and must be treated to maintain combustion process efficiency. The high viscosity of heavy fuel oil must be reduced before being introduced into the engine. To achieve this, appropriate heating devices are added to the fuel lines, with steam being the primary working fluid in these devices. Steam-generating boilers that burn fossil fuels, including HFO itself, are the most viable option from an economic standpoint and in terms of utilizing locally available fuels for this function. However, the need to mitigate the effects of environmental pollution has encouraged the adoption of other types of boilers, such as electric ones. In this work, a case study of a combustion steam generator installed in a Brazilian thermoelectric plant is developed. This study involves the thermodynamic and combustion modeling of the steam generator through the balancing of the respective thermodynamic and combustion equations. The models and the proposed chemical formula of HFO were validated, and through simulations using real data collected during the boiler’s operation throughout 2024, it was also possible to estimate the carbon dioxide emissions produced. Additionally, a hypothetical scenario was simulated in which the combustion boiler currently installed in the plant is replaced by two electric boilers. A simple economic analysis demonstrated that such a replacement would result in a total steam production cost of only 25% of the amount spent on the current combustion boiler, in addition to reducing $C{O}_2$ emissions to the atmosphere by 62.55 tons. Full article

Polymer blending enhances material properties by combining different polymers, which requires careful consideration of both thermodynamic and technological compatibility. This study investigates the compatibility of polyvinyl chloride (PVC), thermoplastic polyurethane (TPU), and a bio-plasticizer in blends produced via roll milling at various mixing ratios. Compatibility and morphology were analyzed using thermally stimulated discharge (TSD), dynamic mechanical analysis (DMA), and scanning electron microscopy (SEM), while mechanical and thermal properties were assessed by mechanical testing and thermogravimetric analysis (TGA). The PVC/TPU (100/30) blend exhibited superior phase compatibility over PVC/TPU (100/50), as indicated by a single relaxation peak in TSD and DMA, along with a more homogeneous morphology and enhanced tensile properties. The PVC/TPU/bio-plasticizer (100/20/50) blend showed a well-balanced mechanical performance and improved phase homogeneity. The TSD peak maxima trends for the TPU/bio-plasticizer blend highlighted the bio-plasticizer’s dual role in enhancing flexibility at low concentrations while restricting molecular mobility at higher concentrations. TGA revealed TPU’s positive effect on PVC’s degradation profile, while the bio-plasticizer reduced thermal stability. These findings demonstrate that blending PVC, TPU, and bio-plasticizer creates compatible materials with enhanced and diverse properties, making them suitable for industrial applications. Full article

Uranium–niobium (U-Nb) alloys, used in a variety of industrial and energy applications that require high density, ductility, and good corrosion resistance, comprise a highly complex, multiphasic system with a phase diagram well established through decades of extensive experimental and theoretical research. They are also one of the best candidates for a metallic fuel alloy with high-temperature strength sufficient to support the core, acceptable nuclear properties, good fabricability, and compatibility with usable coolant media. The key factor determining the performance and safety of a metallic fuel such as U-Nb is its operational limits in the application environment, which are closely related to material’s structure and thermodynamic stability. They are in turn closely related to the ambient (zero-pressure) melting point $\left(T_m\right);$ thus, $T_m$ is an important engineering parameter. However, the current knowledge of $T_m$ of the U-Nb system is limited, as the only experimental study of its Nb-rich portion dates back to 1958. In addition, it has not yet been adequately modeled based on general thermodynamics principles or using an equation-of-state approach. In this study, we present a theoretical model for the melting curve (liquidus) of a mixture, and apply it to U-Nb, which is considered as a mixture of pure U and pure Nb. The model uses the known melting curves of pure constituents as an input and predicts the melting curve of their mixture. It has only one free parameter, which must be determined independently. The ambient liquidus of U-Nb predicted by the model appears to be in good agreement with the available experimental data. We calculate the melting curve (the pressure dependence of $T_m$) of pure U using ab initio quantum molecular dynamics (QMD), the knowledge of which is required for obtaining the model parameters for U. We also generalize the new model to nonzero pressure and consider the melting curve of U-6 wt.% Nb (U-6Nb) alloy as an example. The melting curve of U-6Nb alloy predicted by the model appears to be in good agreement with the ab initio melting curve obtained from our QMD simulations. We suggest that the U-18Nb alloy can be considered as a proxy for protactinium (Pa) and demonstrate that the melting curves of U-18Nb and Pa are in good agreement with each other. Full article

Fiber-reinforced resin composites (FRRCs) are widely used in several fields such as construction, automotive, aerospace, and power. Basalt fiber (BF) has been increasingly used to replace artificial fibers such as glass fiber and carbon fiber in the production of BF-reinforced resin matrix composites (BFRRCs). This preference stems from its superior properties, including high temperature resistance, chemical stability, ease of manufacturing, cost-effectiveness, non-toxicity, and its natural, environmentally friendly characteristics. However, the chemical inertness of BF endows it with poor compatibility, adhesion, and dispersion in a resin matrix, leading to poor adhesion and a weak BF–resin interface. The interfacial bonding strength between BF and resin is an important parameter that determines the service performance of BFRRC. Therefore, the interfacial bonding strength between them can be improved through fiber modification, resin–matrix modification, mixed enhancers, etc., which consequently upgrade the mechanical properties, thermodynamic properties, and durability of BFRRC. In this review, first, the production process and properties of BFs are presented. Second, the mechanical properties, thermodynamic properties, and durability of BFRRC are introduced. Third, the modification effect of the non-destructive surface-modification technology of BF on BFRRC is presented herein. Finally, based on the current research status, the future research direction of BFRRC is proposed, including the development of high-performance composite materials, green manufacturing processes, and intelligent applications. Full article

To achieve the resource utilization of iron ore tailings (IOTs), two different IOTs were investigated as sustainable adsorbents for ciprofloxacin (CIP) removal from aqueous systems. Through systematic batch experiments, key adsorption parameters including initial pH, adsorbent dosage, contact time, ionic strength, and temperature were comprehensively evaluated. The results showed that CIP adsorption by IOTs remained relatively stable across a broad initial pH range (2–10), with maximum adsorption capacities of 5-IOT and 14-IOT observed at the initial pH values of 10.1 and 9.16, respectively. Competitive ion experiments revealed a gradual decrease in CIP adsorption capacity with increasing ionic strength (Na⁺, Mg²⁺, and Ca²⁺). Thermodynamic analyses indicated an inverse relationship between adsorption capacity and temperature, yielding maximum adsorption capacities (Q_max) of 16.64 mg/g (5-IOT) and 13.68 mg/g (14-IOT) at 288.15 K. Mechanistic investigations combining material characterization and adsorption modeling identified ion exchange as the predominant interaction mechanism. Notably, trace elements (Cd, Co, Cr, Cu, Fe, Ni, Pb, and Zn) were released during leaching tests, with concentrations consistently below environmental safety thresholds. A back-propagation artificial neural network (BP-ANN) with optimized architecture (8-11-1 topology) demonstrated high predictive accuracy (MSE = 0.0031, R² = 0.9907) for adsorption behavior. These findings suggested IOTs as cost-effective, environmentally compatible adsorbents for CIP remediation, offering the dual advantages of pharmaceutical pollutant removal and industrial waste valorization. Full article

This study reports the preparation of a novel hybrid composite and its application in adsorption. For this composite preparation, zirconia (ZrO₂) was precipitated onto an integrated framework of reduced graphene oxide (rGO) and black cumin (BC) seeds. Characterization using Fourier-transform infrared spectroscopy, X-ray diffraction, scanning electron microscopy, energy-dispersive X-ray analysis, and transmission electron microscopy confirmed the successful incorporation of ZrO₂ nanoparticles (5–20 nm) into the integrated carbon framework of rGO and seed powder. The microscopic analysis further revealed that the ZrO₂ NPs were dispersed throughout the integrated rGO-BC framework. Using the rGO-BC@ZrO₂ composite, methylene blue dye was decontaminated from water through a batch adsorption process. The rGO-BC@ZrO₂ composite achieved 96% MB adsorption at an adsorbent dose of 2.0 g/L, and nearly 100% when the adsorbent concentration was 3.0 g/L. Modeling of the experimental adsorption values was also established to verify the adsorption viability and mechanism. Thermodynamic modeling confirmed the feasibility and spontaneity of the present batch adsorption process. Isotherm modeling, which showed its compatibility with the Freundlich isotherm, suggested multilayer adsorption. rGO-BC@ZrO₂ demonstrated good persistence and reusability for methylene blue for up to five consecutive adsorption cycles. Thus, this study presents optimistic results regarding water purification. Full article

In this study, we developed a palladium-catalyzed decarbonylative nucleophilic halogenation reaction using inexpensive and readily available acid anhydrides as substrates. This approach effectively circumvents the instability of acyl chlorides and the low reactivity of acyl fluorides. The Pd/Xantphos catalyst system exhibited excellent compatibility with the thermodynamically and kinetically challenging reductive elimination of C–X bonds (X = I, Br, and Cl) from Pd(II) intermediates. Notably, for electron-donating substrates, adopting an open system significantly improved the reaction efficiency. The positive effect of the open system may be due to the reversible nature of CO insertion and deinsertion, which helps direct the reaction toward the desired pathway by allowing the generated CO to exit the reaction system. Mechanistic studies suggest that the reaction proceeds through a highly reactive acyl halide intermediate, followed by a unimolecular fragment coupling (UFC) pathway via decarbonylation or an alternative pathway involving the formation of an activated anionic palladate complex in the presence of lithium halide. Full article

We investigate the thermodynamic compatibility of weakly nonlocal materials with constitutive equations depending on the third spatial gradient of the deformation and the heat flux ruled by an independent balance law. In such materials, the molecules experience long-range interactions. Examples of biological systems undergoing nonlocal interactions are given. Under the hypothesis of weak nonlocality (constitutive equations depending on the gradients of the unknown fields), we exploit the second law of thermodynamics by considering the spatial differential consequences (gradients) of the balance laws as additional equations to be substituted into the entropy inequality, up to the order of the gradients entering the state space. As a consequence of such a procedure, we obtain generalized constitutive laws for the stress tensor and the specific entropy, as well as new forms of the balance equations. Such equations are, in general, parabolic, although hyperbolic situations are also possible. For small deformations of homogeneous and isotropic bodies, under the validity of a generalized Maxwell–Cattaneo equation for the heat flux, which depends on the deformation too, we study the propagation of small-amplitude thermomechanical waves, proving that mechanical, thermal and thermomechanical waves are possible. Full article