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Search Results (462)

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Keywords = enthalpy of solution

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19 pages, 4605 KB  
Article
Preliminary Evaluation of Geothermal Potential in Offshore Depleted Petroleum Reservoirs: The Prinos-Kavala Basin, Northern Aegean, Greece
by Adamantia Raftogianni, Ioannis Vakalas, Paschalia Kiomourtzi, Yannis Tsiantis, George Apostolopoulos, Francesca Pace and Vasileios Gaganis
J. Mar. Sci. Eng. 2026, 14(5), 421; https://doi.org/10.3390/jmse14050421 - 25 Feb 2026
Viewed by 242
Abstract
The increasing global demand for energy has accelerated the depletion of identified conventional resources, highlighting the need for sustainable alternatives. Geothermal energy, a renewable resource derived from the Earth’s internal heat, offers a reliable solution for both power generation and direct use applications. [...] Read more.
The increasing global demand for energy has accelerated the depletion of identified conventional resources, highlighting the need for sustainable alternatives. Geothermal energy, a renewable resource derived from the Earth’s internal heat, offers a reliable solution for both power generation and direct use applications. We present a comprehensive investigation of medium-enthalpy geothermal reservoirs in the Prinos–Kavala Basin, Northern Aegean, Greece. We firstly integrate geological, geophysical, and geochemical data from 66 wells across Prinos–Kavala basin to analyze the temperature distribution in the reservoir. The methodology includes the correction of bottom-hole temperatures and estimation of the geothermal gradients. A 1-D semi-steady-state well temperature modeling technique was applied to estimate the expected production wellhead temperature and assess its suitability for surface heating applications. Results reveal significant spatial heterogeneity in geothermal gradients and reservoir properties, with overpressured conditions confirmed in key zones. The integration of 3D reservoir model and isothermal mapping (>90 °C) identifies zones with high geothermal potential, supporting optimal exploitation strategies. The estimated production wellhead temperatures support the utilization of the produced brine heat content for various applications, among them the pre-heating of a CO2 stream to be injected within the CCS framework for wellbore thermal stress management purposes. The findings demonstrate the value of reservoir characterization for sustainable geothermal development in complex tectonic settings. Full article
(This article belongs to the Section Marine Energy)
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9 pages, 608 KB  
Article
Protein Folding and the Minimum Rate of Entropy Production
by Juan S. Jiménez
Biophysica 2026, 6(1), 14; https://doi.org/10.3390/biophysica6010014 - 16 Feb 2026
Viewed by 248
Abstract
Protein folding displays a very narrow range of stability energy as measured by the ΔG° value associated with the process of protein folding from the unfolded sequence of amino acids defining a particular protein. We have recently reported the Gaussian distribution of ΔG° [...] Read more.
Protein folding displays a very narrow range of stability energy as measured by the ΔG° value associated with the process of protein folding from the unfolded sequence of amino acids defining a particular protein. We have recently reported the Gaussian distribution of ΔG° values obtained from a Data Base, constituted by more than five hundred data points from protein folding processes. An average value of ΔG° = −30.9 kJ/mol was obtained. Considering that a protein solution may include thousands of hydrogen bonds in water solution, this is an extremely low value, approximately equivalent to two hydrogen bonds. The enthalpy–entropy compensation has been repeatedly used as the main empirical mechanism, based in classical thermodynamics, to explain the low energy involved in stabilizing proteins. I present here a different approach, based on the thermodynamics of steady states in open systems, in an attempt to complement the achievements obtained through the EEC. The main conclusions explain the narrow range of ΔG° values reported previously as a consequence of environmental conditions, such as the protein solubility, and the plausible concentration, “in vivo,” of both protein forms, folded and unfolded. Particularly relevant is the condition of increasing the entropy of irreversible processes inside adiabatic systems. It is also worth noting the observation that, according to the results obtained from the theoretical model used, any protein could be folded with slightly different stability values of ΔG°, following the theorem of minimum entropy production rate. Full article
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27 pages, 2562 KB  
Article
Exergy Analysis Based on AI Correlations for Seawater Properties: Case Study of Industrial MED-TVC Plant in Kuwait
by Abdulrahman S. Almutairi, Hani Abulkhair, Hamad M. Alhajeri and Abdulrahman H. Alenezi
Water 2026, 18(4), 482; https://doi.org/10.3390/w18040482 - 13 Feb 2026
Viewed by 305
Abstract
Desalination is an increasingly important element in the sustainable supply of potable water. To accurately predict costs, the efficiency of such systems requires accurate knowledge of seawater’s thermodynamic properties. Four models have been proposed for determining the thermophysical properties of salt water, pure [...] Read more.
Desalination is an increasingly important element in the sustainable supply of potable water. To accurately predict costs, the efficiency of such systems requires accurate knowledge of seawater’s thermodynamic properties. Four models have been proposed for determining the thermophysical properties of salt water, pure water, an ideal mixture, and an aqueous sodium chloride solution, and empirical correlations, as would be expected, provide the precision necessary for accurate exergy calculations. This research began with a study of the most recent and accurate empirical investigations of the thermodynamic properties of seawater. It then employed AI techniques to develop a simpler, more accurate model for density, Gibbs free energy, specific enthalpy, and specific entropy for pressures extending up to 12 MPa, salinities from 0 to 80 g/kg, and the temperature range of 10 °C to 120 °C. The AI-based correlations achieved absolute errors of 1.5 kg/m3 for density, 0.185 kJ/kg for specific enthalpy, 0.005 kJ/kg·K for specific entropy, and 0.214 kJ/kg for Gibbs free energy. These values demonstrated at least equivalent, and even superior, accuracy to the existing state-of-the-art formulations, with the advantage of significantly reduced computational complexity, enhanced computational efficiency, and a more user-friendly implementation. Validation against experimental data demonstrated the exceptional accuracy of the predicted values for all the stated thermodynamic properties. In addition, an exergy-based assessment was conducted of the performance of a recently commissioned desalination plant in Kuwait. This was a large-scale multi-effect distillation plant with thermal vapour compression (MED-TVC), showing a second-law efficiency of 8.9%, with the primary source of exergy destruction identified as the evaporator units. Comparative assessment with a more conventional approach showed differences of less than 0.4% in total exergy destruction and less than 5% in exergetic efficiency. This is taken as a validation of the accuracy, reliability, and practical usefulness of the proposed AI framework for the performance evaluation of desalination systems. Full article
(This article belongs to the Section Wastewater Treatment and Reuse)
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16 pages, 3880 KB  
Article
Foam Rubber-Based Three-Layer Flexible Composite for High-Efficiency Infrared Stealth and Joule Heating
by Haishuo Li, Xiaojie Chen, Yushu Wang, Yaozong Li, Junjie Jiang and Wentao Zhai
Materials 2026, 19(4), 710; https://doi.org/10.3390/ma19040710 - 12 Feb 2026
Viewed by 225
Abstract
With the rapid development of infrared detection methods and military surveillance technologies, flexible and wearable infrared stealth materials (ISM) have attracted increasing attention. Inspired by the layered structure of penguins’ fat–feather–oil, this study prepared a three-layer MXene/waterborne polyurethane (WPU)-foam rubber-phase change microcapsule (PCM)/WPU [...] Read more.
With the rapid development of infrared detection methods and military surveillance technologies, flexible and wearable infrared stealth materials (ISM) have attracted increasing attention. Inspired by the layered structure of penguins’ fat–feather–oil, this study prepared a three-layer MXene/waterborne polyurethane (WPU)-foam rubber-phase change microcapsule (PCM)/WPU composite material (M-F-P) via the solution blending and doctor-blading method. The outermost layer of the M-F-P composite is an MXene/WPU conductive film, which features a low infrared emissivity and Joule heating performance to adapt to suddenly cold environments. The porous foam rubber in the middle layer provides excellent thermal insulation performance, which effectively inhibits heat conduction and enhances infrared stealth efficiency. Meanwhile, as a four-directional elastic material, it exhibits deformation recovery capability in both the warp and weft directions as well as the 45° direction. The bottom layer of the PCM/WPU film has a phase change enthalpy of 154.3 J/g and possesses efficient thermal management capability. It achieves dynamic thermal regulation through the cycle of heat absorption at high temperatures and heat release at low temperatures. Full article
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13 pages, 2810 KB  
Article
Microwave-Driven, Dual-Protection, Leakage-Proof Phase-Change Composite Module for Ultrafast Low-Temperature Cold Start of Lithium-Ion Batteries
by Zhenzhou Gong, Xin Huang, Jianwu Zhu, Rongrong Zhang, Chen Chen, Jiaxin Wang, Zhongshu Yu, Ruiping Guo, Fan Zhang and Chao Yang
Energies 2026, 19(3), 674; https://doi.org/10.3390/en19030674 - 28 Jan 2026
Viewed by 241
Abstract
Lithium-ion batteries suffer from severe capacity fading and start-up failure at low temperatures owing to restricted Li+ transport and deteriorated interfacial kinetics. To enable rapid and safe activation under such conditions, this study designs a microwave-driven dual-layer leakage-proof composite phase-change module (EPG–BN–CF–PAG), [...] Read more.
Lithium-ion batteries suffer from severe capacity fading and start-up failure at low temperatures owing to restricted Li+ transport and deteriorated interfacial kinetics. To enable rapid and safe activation under such conditions, this study designs a microwave-driven dual-layer leakage-proof composite phase-change module (EPG–BN–CF–PAG), comprising an epoxy–graphene–boron nitride outer encapsulation and a ceramic fiber–boron nitride porous inner scaffold that adsorbs a paraffin–graphene phase-change core. The synergy between the dense outer shell and the internal adsorption framework affords excellent shape stability, with an enthalpy retention exceeding 95% and no visible leakage after 20 heating–cooling cycles. Owing to the strong microwave-absorption capability of graphene, the module can be rapidly heated from −10 °C to ~60 °C within 60 s while establishing a homogeneous and stable temperature field. Combined simulations and experiments show that the module efficiently transfers heat to a lithium-ion cell, raising its temperature from −10 °C to ~30 °C within 60 s and thus bringing it into a practical operating window. Electrochemical impedance spectroscopy further reveals that the thermally induced activation markedly improves interfacial kinetics, reducing the bulk resistance from 500 Ω to 30 Ω and the charge-transfer resistance from 800 Ω to 30 Ω. This microwave-driven phase-change heating strategy features ultrafast response, excellent anti-leakage performance, and favorable thermal properties, providing an engineering-feasible thermal-management solution for the rapid cold start of lithium-ion batteries under extremely low-temperature conditions. Full article
(This article belongs to the Section D: Energy Storage and Application)
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26 pages, 2983 KB  
Article
Activated Aluminum Alloys as an Alternative to Technological Solutions for Increasing Well Productivity
by Galina Boiko, Raushan Sarmurzina, Nina Lyubchenko, Bagdaulet Kenzhaliyev, Asset Makhanov, Yerkebulan Pulatov, Askar Malbagarov, Yelena Boiko and Yelena Panova
Processes 2026, 14(3), 448; https://doi.org/10.3390/pr14030448 - 27 Jan 2026
Viewed by 275
Abstract
The relevance of this study is determined by the need for new technological solutions to enhance the productivity of wells producing heavy and highly viscous crude oil. The work investigates multicomponent Al–Ga–In–Sn alloys as reactive systems capable of generating heat and hydrogen upon [...] Read more.
The relevance of this study is determined by the need for new technological solutions to enhance the productivity of wells producing heavy and highly viscous crude oil. The work investigates multicomponent Al–Ga–In–Sn alloys as reactive systems capable of generating heat and hydrogen upon contact with water. The focus is placed on optimizing melting parameters and assessing how alloy composition and structural features affect reactivity. Phase composition was analyzed by X-ray diffraction, microstructure by SEM-EDX, and elemental composition by XRF. The results show that the hydrogen generation rate and heat release depend on melting temperature, holding time, and ratios of activating metals, as well as the physicochemical properties of the formation water, particularly salinity and pH. Reaction enthalpy and conversion efficiency were quantified. The highest hydrogen output and thermal effect were observed for the following compositions—90 wt.% Al, 5 wt.% Ga, 2.5 wt.% In, 2.5 wt.% Sn; and 85 wt.% Al, 5 wt.% Ga, 5 wt.% In, 5 wt.% Sn (825 °C, 30 min). Rapid heat and gas release is attributed to the eutectic structure and micro-galvanic interaction, which eliminate the induction period. These findings demonstrate the potential of such alloys for in situ heating, enhanced oil recovery, and autonomous hydrogen-energy applications. Full article
(This article belongs to the Section Petroleum and Low-Carbon Energy Process Engineering)
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19 pages, 3630 KB  
Article
Normal Shock Wave Approximations for Flight at Hypersonic Mach Numbers
by Pasquale M. Sforza
Aerospace 2026, 13(2), 115; https://doi.org/10.3390/aerospace13020115 - 24 Jan 2026
Viewed by 320
Abstract
Normal shock pressure ratios in equilibrium air for Mach numbers up to 30 and altitudes to 300,000 feet are shown to be correlated by a simple power law which provides an accuracy of ±2%, thereby permitting direct calculation of corresponding enthalpy ratios accurate [...] Read more.
Normal shock pressure ratios in equilibrium air for Mach numbers up to 30 and altitudes to 300,000 feet are shown to be correlated by a simple power law which provides an accuracy of ±2%, thereby permitting direct calculation of corresponding enthalpy ratios accurate to ±1% without iteration; a slight change in power-law coefficients extends this capability to Mach 65. Temperature, density, and compressibility may be then found directly from tables for high temperature air. For Mach numbers up to at least 6, a linear approximation for specific heat provides direct solutions for post-shock state variables, while a complementary logarithmic model of the equation of state enables direct solutions for Mach numbers up to about 12. This approach, which provides accuracy within ±3% for all relevant variables in the practical flight corridor of vehicles at these low to moderate hypersonic Mach numbers, should prove useful in design and analysis because the algebraic solutions obtained need neither iteration or interpolation. Full article
(This article belongs to the Section Aeronautics)
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19 pages, 3234 KB  
Article
Designing Natural Rubber Shape Stabilized Phase Change Materials: Impact of Matrix Network on Thermophysical Properties
by Marc Neira-Viñas, Nicolas Candau and Ana Inés Fernández
Molecules 2026, 31(2), 390; https://doi.org/10.3390/molecules31020390 - 22 Jan 2026
Viewed by 253
Abstract
Shape-stabilized phase change materials (SSPCMs) have been a promising thermal energy storage (TES) solution to combine the high energy density of solid-to-liquid (SL) PCMs and the structural stability of solid–solid PCMs. Although polymeric matrices have been used for their reduced cost and ease [...] Read more.
Shape-stabilized phase change materials (SSPCMs) have been a promising thermal energy storage (TES) solution to combine the high energy density of solid-to-liquid (SL) PCMs and the structural stability of solid–solid PCMs. Although polymeric matrices have been used for their reduced cost and ease of processability, few have evaluated the use of crosslinked natural rubber (NR). In this study, we evaluate by differential scanning calorimetry (DSC) the preparation of room-temperature tailorable SSCPMs by the design of NR matrices with different crosslink density vulcanized by dicumyl peroxide (DCP) or sulphur, with special focus on the quantification of the content of PCM. The results indicate that the amount of PCM stable in the NR matrix is low, with PCM contents between 16 and 24% and enthalpies between 16 and 20 J·g−1. Likewise, it is well-known that thermophysical properties of the PCMs vary upon confinement in a small-scale porous matrix. The confinement of the PCM in the rubber network results in a measured enthalpy below the expected value, and a melting point depression of up to 23.6 °C, dependent on crosslink density. These results highlight the structural complexity of NR-PCM composites and the need for further investigation. Full article
(This article belongs to the Special Issue Advances in European Materials Chemistry)
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27 pages, 19809 KB  
Article
Impact of Knife, Disc, and Ball Milling on the Structure and Functionality of Quinoa Flour
by Elias Silva Marcelino, Juan Ignacio González Pacheco, Mariela Beatriz Maldonado, Rocío Miranda Heredia, Alexmilde Fernandes da Silva, Elaine Silva Souza, Thaisa A. S. Gusmão, Heleno Bispo and Rennan P. de Gusmão
Foods 2026, 15(2), 288; https://doi.org/10.3390/foods15020288 - 13 Jan 2026
Viewed by 354
Abstract
This investigation focuses on optimising the milling processes of white quinoa (Chenopodium quinoa Willd.) to enhance its industrial applications. Three milling technologies—knife, disc, and ball milling—were employed to produce flours characterised by various physicochemical analyses. The granulometric analysis indicated that ball milling [...] Read more.
This investigation focuses on optimising the milling processes of white quinoa (Chenopodium quinoa Willd.) to enhance its industrial applications. Three milling technologies—knife, disc, and ball milling—were employed to produce flours characterised by various physicochemical analyses. The granulometric analysis indicated that ball milling achieved the finest particle size distribution, significantly improving water absorption capacity and dispersion. Mathematical modelling confirmed that the Rosin–Rammler–Bennett model provided superior predictive capability for rheological behaviour (R2 > 0.9624). X-ray diffraction revealed a reduction in crystallinity as milling progressed, while differential scanning calorimetry indicated a decrease in gelatinisation enthalpy and temperature range, suggesting enhanced thermal processing efficiency. Ball milling of the quinoa flour resulted in marked structural changes, as observed by electron microscopy, which are associated in the literature with potential benefits for technological applications in gluten-free and health-oriented foods. Furthermore, fractionation of the flours yielded nutrient-rich bran, containing high levels of protein and fibre. These findings establish critical processing–structure–function relationships, promoting the scalable production of high-value quinoa ingredients that cater to the increasing demand for sustainable and health-oriented food solutions. Full article
(This article belongs to the Section Grain)
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21 pages, 929 KB  
Review
Compositional Design of High-Entropy Alloys: Advances in Structural and Hydrogen Storage Materials
by Shaopeng Wu, Dongxin Wang, Nairan Wang, Xiaobo Ma, Zhongxiong Xu, Le Li, Mingda Han and Cheng Zhang
Alloys 2026, 5(1), 3; https://doi.org/10.3390/alloys5010003 - 7 Jan 2026
Cited by 1 | Viewed by 694
Abstract
High-entropy alloys (HEAs) present a vast compositional design space, characterized by four core effects—high configurational entropy, sluggish diffusion, severe lattice distortion, and the cocktail effect—which collectively underpin their exceptional potential for both structural and hydrogen storage applications. This mini-review synthesizes recent advances in [...] Read more.
High-entropy alloys (HEAs) present a vast compositional design space, characterized by four core effects—high configurational entropy, sluggish diffusion, severe lattice distortion, and the cocktail effect—which collectively underpin their exceptional potential for both structural and hydrogen storage applications. This mini-review synthesizes recent advances in the compositional design of HEAs with emphasis on structural materials and hydrogen storage. Firstly, it provides an overview of the definition of HEAs and the roles of principal alloying elements, then synthesizes solid solution formation rules based on representative descriptors—atomic size mismatch, electronegativity difference, valence electron concentration, mixing enthalpy, and mixing entropy—together with their applicability limits and common failure scenarios. A brief introduction is provided to the preparation methods of arc melting and powder metallurgy, which have a strong interaction with the composition. The design–structure–property links are then consolidated for structural materials (mechanical properties) and for hydrogen storage materials (hydrogen storage performance). Furthermore, the rules for the combined design of control systems for HEAs and the associated challenges were further discussed, and the future development prospects of HEAs in structural materials and hydrogen storage were also envisioned. Full article
(This article belongs to the Special Issue High-Entropy Alloys)
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17 pages, 1540 KB  
Article
Investigation of Liquid Alloys from the Ternary Cu-Mg-Ti System: Calorimetric Study and Thermodynamic Modeling
by Weronika Gozdur, Władysław Gąsior, Wojciech Gierlotka, Magda Pęska, Marek Polański and Adam Dębski
Appl. Sci. 2026, 16(1), 262; https://doi.org/10.3390/app16010262 - 26 Dec 2025
Viewed by 352
Abstract
Since there is limited information available in the literature about the thermodynamic properties of the Cu-Mg-Ti system, this work aims to determine the mixing enthalpy change for several liquid alloys from this system. To achieve the intended purpose, the applied methods were divided [...] Read more.
Since there is limited information available in the literature about the thermodynamic properties of the Cu-Mg-Ti system, this work aims to determine the mixing enthalpy change for several liquid alloys from this system. To achieve the intended purpose, the applied methods were divided into two stages. The first one covered a high-temperature calorimetric measurement of the enthalpy of mixing performed at 1123–1402 K for liquid solutions in six measurement series (A–F). The obtained experimental results indicate that the liquid solutions are characterized by negative deviations from ideal solutions across the whole measured concentration range. The second stage of the study includes thermodynamic modeling. At first, based on the calorimetrically obtained experimental data and thermodynamic properties of the binary systems described by the Redlich–Kister model, a set of ternary optimized parameters for the Cu-Mg-Ti system were calculated. Then, for the calculation of the mixing enthalpy change, two models were used—the symmetrical Muggianu model and the asymmetrical Toop model. This study complements the information available in the literature and the obtained results aim to fill the gap in the current knowledge on thermodynamic properties. Full article
(This article belongs to the Special Issue Processing and Microstructural Evolution of Alloys)
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14 pages, 3032 KB  
Article
Protective and Restorative Effects of a Bio-Based Crosslinking Complex on Chemically Damaged Hair
by Flavio B. Camargo Junior, Alessandra M. Goshiyama, Gessica F. D. Oliveira, Marcos R. Rossan, Cleverson R. Princival, Edson Katekawa, Wagner Magalhães, Rafaela de Almeida Zito, Letícia Kakuda and Patrícia Maria Berardo Gonçalves Maia Campos
Cosmetics 2026, 13(1), 3; https://doi.org/10.3390/cosmetics13010003 - 24 Dec 2025
Viewed by 1186
Abstract
This study addresses the growing consumer demand for effective and sustainable hair care solutions by evaluating a novel bioactive crosslink repair complex designed to restore chemically damaged hair. The complex comprises itaconic acid, arginine, D-panthenol, and polysaccharides from linseed and chia, which work [...] Read more.
This study addresses the growing consumer demand for effective and sustainable hair care solutions by evaluating a novel bioactive crosslink repair complex designed to restore chemically damaged hair. The complex comprises itaconic acid, arginine, D-panthenol, and polysaccharides from linseed and chia, which work synergistically to promote fiber crosslinking, protein restructuring, and cuticle barrier restoration. The complex was incorporated into two formulations: a bleaching mixture as a protective agent and a leave-in conditioner as a repair treatment for chemically damaged hair. The protective efficacy was assessed through tensile strength measurements, differential scanning calorimetry, combability tests, shine evaluation, and scanning electron microscopy. The repair potential was evaluated using differential scanning calorimetry and tensile strength analysis. Results demonstrated that incorporating the complex into the bleaching mixture significantly enhanced break stress, denaturation enthalpy, shine, and combability, while maintaining improved cuticle alignment. The hair repair evaluation showed that post-treatment application of the complex successfully restored hair tensile strength and denaturation. These findings confirm the dual functionality of Bioactive Crosslink Repair Complex as both a protective and reparative agent, highlighting synergistic mechanisms in preventing and reversing chemical damage to hair fibers. This bioactive approach offers a promising alternative for hair care formulations targeting chemically treated hair. Full article
(This article belongs to the Section Cosmetic Formulations)
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13 pages, 2781 KB  
Article
Comparative Study on Cation Adsorption and Thermodynamic Characteristics of Clay Minerals in Electrolyte Solutions
by Jiazhong Wu, Heshu Hu, Shuke Zhao, Yisong Li, Kun Zhao, Minghui Zhang and Bin Ding
Surfaces 2025, 8(4), 90; https://doi.org/10.3390/surfaces8040090 - 15 Dec 2025
Viewed by 734
Abstract
The interaction between clay minerals and electrolyte solutions critically affects waterflooding efficiency in enhanced oil recovery (EOR). This study systematically investigated the adsorption and thermodynamic properties of montmorillonite, illite, and kaolinite in different cationic solutions (K+, Na+, Ca2+ [...] Read more.
The interaction between clay minerals and electrolyte solutions critically affects waterflooding efficiency in enhanced oil recovery (EOR). This study systematically investigated the adsorption and thermodynamic properties of montmorillonite, illite, and kaolinite in different cationic solutions (K+, Na+, Ca2+, Mg2+), integrating adsorption isotherm analysis with immersion calorimetry for the first time. Montmorillonite showed the highest adsorption capacity, with the cation affinity following K+ > Na+ > Ca2+ > Mg2+. The highest immersion enthalpy was observed in KCl solution, indicating the dominant roles of ionic radius and solvation energy. Cation adsorption induced deformation of clay lamellae and modification of Si-O and Al-OH groups. These findings suggest that optimizing injected ion composition can enhance reservoir stability and waterflood performance, providing thermodynamic insights for EOR process optimization. Full article
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29 pages, 6710 KB  
Article
Comparison of Hybrid Enthalpy–Porosity Models in the Analysis of Solute Macro-Segregation in Binary Alloy Centrifugal Casting
by Mirosław Seredyński and Jerzy Banaszek
Materials 2025, 18(24), 5632; https://doi.org/10.3390/ma18245632 - 15 Dec 2025
Viewed by 401
Abstract
This paper presents the detailed comparisons of solute macro-segregation pictures predicted by different meso-macroscopic simulations, based on the single-domain enthalpy–porosity approach coupled with distinct models of flow resistance in the two-phase zone. In the first, the whole zone is treated as a Darcy’s [...] Read more.
This paper presents the detailed comparisons of solute macro-segregation pictures predicted by different meso-macroscopic simulations, based on the single-domain enthalpy–porosity approach coupled with distinct models of flow resistance in the two-phase zone. In the first, the whole zone is treated as a Darcy’s porous medium (EP model); in the other two, the columnar and equiaxed grain structures are distinguished using either the coherency point (EP-CP model) approach or by tracking a virtual surface of columnar dendrite tips (EP-FT model). The simplified 2D model of a solidifying cast in a centrifuge is proposed, and calculations are performed for the Pb-48wt. % Sn cast at various hypergravity levels and rotation angles. It is shown, in the example of Sn-10wt. % Pb alloy, that the predicted macro-segregation strongly depends on the mesoscopic model used, and the EP-FT simulation (validated with the AFRODITE benchmark) provides the most realistic solute inhomogeneity pictures. The EP-FT model is further used to investigate the impact of the hyper-gravity level and the cooling direction on the compositional nonuniformity developing in centrifuge casting. The hyper-gravity level visibly impacts the macro-segregation extent. The region of almost uniform solute distribution in the slurry zone rises with the increased effective gravity, though the solute channeling is more severe for higher gravity and rotation angles. A-channeling and V-channeling were observed for angles between the gravity vector and cooling direction lower than 120° and higher than 120°, respectively. Full article
(This article belongs to the Section Metals and Alloys)
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29 pages, 3689 KB  
Article
Thermodynamic Cycle Model for Ammonia–Ionic Liquid in High Temperature Absorption Heat Pumps—Ionic Liquids Parameters
by Christos Karakostas and Bogusław Białko
Energies 2025, 18(24), 6435; https://doi.org/10.3390/en18246435 - 9 Dec 2025
Viewed by 686
Abstract
This article evaluates and develops a thermodynamic steady-state model, analyzing the thermodynamic properties of ammonia–ionic liquid (NH3–IL) working pairs for use in high-temperature (>100 °C) absorption heat pumps. Given the increasing need for energy savings and reductions in greenhouse gas emissions, [...] Read more.
This article evaluates and develops a thermodynamic steady-state model, analyzing the thermodynamic properties of ammonia–ionic liquid (NH3–IL) working pairs for use in high-temperature (>100 °C) absorption heat pumps. Given the increasing need for energy savings and reductions in greenhouse gas emissions, this is becoming an important consideration in the context of industrial facilities. Prior work on ammonia–ionic liquid (IL) pairs has largely focused on lower supply temperatures and offers no quantitative criteria connecting IL properties to high-temperature (>100 °C) cycle design. This article presents calculations based on correlations in the literature to determine the vapor pressures of pure ionic liquids using a modified Redlich–Kwong equation of state; the vapor–liquid equilibrium (VLE) of NH3/[emim][SCN] and NH3/H2O mixtures in the NRTL model; the specific heats of pure ionic liquids (ILs); the specific heat capacities of NH3–IL and NH3–H2O mixtures; and the excess enthalpy (HE) for NH3/[emim][SCN] and NH3/[emim][EtSO4] as a function of temperature and composition, using a combination of NRTL + Gibbs–Helmholtz and Redlich–Kister polynomials. The calculations confirm the practically zero volatility of ionic liquids in the generator. This preserves the high purity of the ammonia vapor above the NH3/[emim][SCN] solution (y1 ≥ 0.997 over a wide range of temperatures and concentrations) and enables the rectification process in the generator to be omitted. The specific heat capacity of pure ionic liquids (ILs) has been shown to be 52–63% lower than that of water. Mixtures of ammonia (NH3) and ILs with a mass fraction of 0.5/0.5 have a specific heat at 120 °C that is 34–37.5% lower than that of the ammonia–water (NH3–H2O) solution. This directly translates into a reduction in the power required in the generator. Excess enthalpy results show moderate or strongly negative values within the useful temperature and concentration range, indicating the exothermic nature of the mixture. At the same time, the NH3/[emim][EtSO4] mixture is characterized by a decrease in enthalpy with increasing temperature, suggesting that benefits for the COP of the system can be obtained. Based on these calculations, criteria for selecting ionic liquids for use in high-temperature absorption pumps were formulated: negligible volatility, a low specific heat capacity for the mixture, and a strongly negative excess enthalpy, which decreases with temperature, at the operating temperatures of the absorber and generator. Full article
(This article belongs to the Special Issue Advances in Heat and Mass Transfer)
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