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Keywords = equilibrium spreading pressure

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18 pages, 5633 KiB  
Article
Analysis of Enhanced Geothermal System Reservoir Parameters and Fractures on Heat Recovery Efficiency Based on a Single-Phase Conduction Model
by Yuting Luo, Juyan Wei, Meilong Fu, Li Fang and Xudong Li
Processes 2025, 13(4), 1135; https://doi.org/10.3390/pr13041135 - 9 Apr 2025
Viewed by 537
Abstract
Geothermal energy has the advantages of being green, stable, abundant, and renewable. The thermal energy extraction efficiency of an enhanced geothermal system (EGS) is significantly regulated by Thermo–Hydraulic (TH) processes. To accurately evaluate the long-term heat recovery performance of an EGS, the dynamic [...] Read more.
Geothermal energy has the advantages of being green, stable, abundant, and renewable. The thermal energy extraction efficiency of an enhanced geothermal system (EGS) is significantly regulated by Thermo–Hydraulic (TH) processes. To accurately evaluate the long-term heat recovery performance of an EGS, the dynamic influence mechanisms under multi-field TH coupling effects must be considered comprehensively. Therefore, in this study, based on the local thermal equilibrium theory, a temperature–seepage coupling model is established using the COMSOL software. The influences of reservoir parameters and fractures on the geothermal energy mining effect are studied, and the distribution law of temperature and pressure in the thermal reservoir is analyzed. The research results provide a reference for EGS reservoir reconstruction and heat recovery efficiency optimization. It is shown that the temperature difference near the injection–production well in the early stage of development leads to the slow recovery of thermal reservoir pressure. When the matrix permeability is greater than 455 mD, the temperature of the production fluid drops too quickly, and the development life of the thermal reservoir is short. The matrix porosity has little effect on the development of thermal reservoirs. When the porosity increases from 0.05 to 0.3, after 40 years of production, the mass flow rate of the produced fluid increases by 3.08%, the temperature of the produced fluid increases by 2.14%, and the heat recovery rate increases by 7.04%. The number of fractures has a significant influence on the development of thermal reservoirs. When the number of fractures increases from 0 to 3, the mass flow rate of production fluid increases by 55.9%, the thermal breakthrough is rapid, and the development life of the thermal reservoir is shortened. Notably, the unreasonable use of cracks will hinder the outward spread of the injected fluid. Full article
(This article belongs to the Special Issue Advances in Oil and Gas Reservoir Modeling and Simulation)
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28 pages, 5658 KiB  
Review
Mechanistic Insights into the Mutational Landscape of the Main Protease/3CLPro and Its Impact on Long-Term COVID-19/SARS-CoV-2 Management
by Aganze Gloire-Aimé Mushebenge, Samuel Chima Ugbaja, Nonjabulo Ntombikhona Magwaza, Nonkululeko Avril Mbatha, Tambwe Willy Muzumbukilwa, Mukanda Gedeon Kadima, Fave Yohanna Tata, Mthokosizi Bongani Nxumalo, Riziki Ghislain Manimani, Ntabaza Ndage, Bakari Salvius Amuri, Kahumba Byanga, Manimbulu Nlooto, Rene B. Khan and Hezekiel M. Kumalo
Future Pharmacol. 2024, 4(4), 825-852; https://doi.org/10.3390/futurepharmacol4040044 - 28 Nov 2024
Viewed by 2754
Abstract
The main proteinase (Mpro), or 3CLpro, is a critical enzyme in the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) lifecycle and is responsible for breaking down and releasing vital functional viral proteins crucial for virus development and transmission. As a catalytically active dimer, [...] Read more.
The main proteinase (Mpro), or 3CLpro, is a critical enzyme in the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) lifecycle and is responsible for breaking down and releasing vital functional viral proteins crucial for virus development and transmission. As a catalytically active dimer, its dimerization interface has become an attractive target for antiviral drug development. Recent research has extensively investigated the enzymatic activity of Mpro, focusing on its role in regulating the coronavirus replication complex and its significance in virus maturation and infectivity. Computational investigations have identified four druggable pockets, suggesting potential allosteric sites beyond the substrate-binding region. Empirical validation through site-directed alanine mutagenesis has targeted residues in both the active and allosteric regions and corroborated these predictions. Structural studies of drug target proteins can inform therapeutic approaches, with metadynamics simulations shedding light on the role of H163 in regulating Mpro function and providing insights into its dynamic equilibrium to the wild-type enzyme. Despite the efficacy of vaccines and drugs in mitigating SARS-CoV-2 spread, its ongoing viral evolution, selective pressures, and continued transmission pose challenges, potentially leading to resistant mutations. Phylogenetic analyses have indicated the existence of several resistant variations predating drug introduction to the human population, emphasizing the likelihood of drug spread. Hydrogen/deuterium-exchange mass spectrometry reveals the structural influence of the mutation. At the same time, clinical trials on 3CLPro inhibitors underscore the clinical significance of reduced enzymatic activity and offer avenues for future therapeutic exploration. Understanding the implications of 3CLPro mutations holds promise for shaping forthcoming therapeutic strategies against COVID-19. This review delves into factors influencing mutation rates and identifies areas warranting further investigation, providing a comprehensive overview of Mpro mutations, categorization, and terminology. Moreover, we examine their associations with clinical outcomes, illness severity, unresolved issues, and future research prospects, including their impact on vaccine efficacy and potential therapeutic targeting. Full article
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13 pages, 775 KiB  
Article
Measuring the Equilibrium Spreading Pressure—A Tale of Three Amphiphiles
by Boyan Peychev, Dimitrinka Arabadzhieva, Ivan L. Minkov, Iglika M. Dimitrova, Elena Mileva, Stoyan K. Smoukov and Radomir I. Slavchov
Molecules 2024, 29(17), 4004; https://doi.org/10.3390/molecules29174004 - 24 Aug 2024
Viewed by 1196
Abstract
A surfactant’s equilibrium spreading pressure (ESP) is the maximum decrease in surface tension achievable at equilibrium below the Krafft point. Difficulties in measuring the ESP have been noted previously but no well-established experimental protocols to overcome them exist. We present a case study [...] Read more.
A surfactant’s equilibrium spreading pressure (ESP) is the maximum decrease in surface tension achievable at equilibrium below the Krafft point. Difficulties in measuring the ESP have been noted previously but no well-established experimental protocols to overcome them exist. We present a case study of three solid amphiphiles with different propensities to spread on the air–water interface. Starting with the partially water soluble n-dodecanol (C12H25OH), which spreads instantaneously. The strong Marangoni flows associated with the spreading result in the dislocating of the Wilhelmy plate or crystals attaching to it. A temporary mechanical barrier in front of the spreading crystals mitigates the flows disturbing the plate. Presaturating the subphase with the amphiphile prevents the establishment of dynamic steady states, reduces the standard error by a factor of three and causes faster equilibration. The perfluoroalkylated analog of dodecanol (11:1 fluorotelomer alcohol, C11F23CH2OH) is slow spreading. With surfactant crystals on the interface, the surface pressure reaches a pre-equilibrium plateau within an hour, followed by equilibration on day-long timescales. We show that it is better to estimate the ESP by averaging the values of multiple pre-equilibrium plateaus rather than waiting for equilibrium to be established. Finally, the nonspreading amphiphile DPPC exhibits a large barrier for the mass transfer from the DPPC crystal to the aqueous surface. This was overcome by introducing a volatile, water-immiscible solvent deposited on the surface next to the crystals to facilitate the spreading process and leave behind a monolayer. Full article
(This article belongs to the Special Issue Research Progress of Surfactants)
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5 pages, 1264 KiB  
Technical Note
Technical Assessment of the Bonding Quality of Composite Plywood with a Thin Cork Core
by Francesco Negro, Roberta Bigando, Flavio Ruffinatto and Roberto Zanuttini
Forests 2022, 13(11), 1839; https://doi.org/10.3390/f13111839 - 4 Nov 2022
Cited by 4 | Viewed by 1795
Abstract
The bonding quality is a key property for wood-based composites. Determination of the bonding quality of sandwich panels with veneer faces and <50 mm thick cork core is not covered either by the EN 314-1, which refers to plywood, nor by its Annex [...] Read more.
The bonding quality is a key property for wood-based composites. Determination of the bonding quality of sandwich panels with veneer faces and <50 mm thick cork core is not covered either by the EN 314-1, which refers to plywood, nor by its Annex B, which refers to insulating cores with a thickness of at least 50 mm. This technical note assesses the possibility of using the prescriptions of Annex B of EN 314-1 to test the bonding quality (shear strength) of the concerned panels. For this purpose, sandwich panels were realized by bonding fromager (Ceiba pentandra) veneers to a 5 mm thick core, and their bonding quality was tested. Two types of panels were realized, based on the adhesive used (glue spread 340 g/m2 for double glue lines): urea–formaldehyde (UF) and urea–melamine–formaldehyde (UMF); the panels were pressed at 103 °C for 8 min at a nominal pressure of 0.4 MPa. Pre-treatments were dry-conditioned at 20 °C/65% relative humidity until attainment of the equilibrium moisture content, and immersed in water: cold water for UF panels (5.1.1 of EN 314-2) and boiling water for UMF panels (5.1.2 of EN 314-2). The effect of pre-treatment was statistically significant, with shear resistance reductions of 56% and 43% in UF and UMF panels, respectively. Based on this first investigation (2 panels × 10 specimens per panel = 40 specimens), the test method can be considered suitable for providing reliable results. This study constitutes a useful reference to test the bonding quality of sandwich panels with veneer faces and thin cork cores. Full article
(This article belongs to the Special Issue Wood-Based Composites: Innovation towards a Sustainable Future)
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16 pages, 27994 KiB  
Article
Wettability of Metal Surfaces Affected by Paint Layer Covering
by Stanislaw Pogorzelski, Katarzyna Boniewicz-Szmyt, Maciej Grzegorczyk and Pawel Rochowski
Materials 2022, 15(5), 1830; https://doi.org/10.3390/ma15051830 - 28 Feb 2022
Cited by 16 | Viewed by 2778
Abstract
The aim of the work was to quantify the surface wettability of metallic (Fe, Al, Cu, brass) surfaces covered with sprayed paints. Wettability was determined using the contact angle hysteresis approach, where dynamic contact angles (advancing ΘA and receding ΘR) [...] Read more.
The aim of the work was to quantify the surface wettability of metallic (Fe, Al, Cu, brass) surfaces covered with sprayed paints. Wettability was determined using the contact angle hysteresis approach, where dynamic contact angles (advancing ΘA and receding ΘR) were identified with the inclined plate method. The equilibrium, ΘY, contact angle hysteresis, CAH = ΘA − ΘR, film pressure, Π, surface free energy, γSV, works of adhesion, WA, and spreading, WS, were considered. Hydrophobic water/solid interactions were exhibited for the treated surfaces with the dispersive term contribution to γSV equal to (0.66–0.69). The registered 3D surface roughness profiles allowed the surface roughness and surface heterogeneity effect on wettability to be discussed. The clean metallic surfaces turned out to be of a hydrophilic nature (ΘY < 90°) with high γSV, heterogeneous, and rough with a large CAH. The surface covering demonstrated the parameters’ evolution, ΘA↑, ΘR↑, γSV↓, WA↓, and WS↓, corresponding to the surface hydrophobization and exhibiting base substratum-specific signatures. The dimensionless roughness fluctuation coefficient, η, was linearly correlated to CAH. The CAH methodology based on the three measurable quantities, ΘA, ΘR, and liquid surface tension, γLV, can be a useful tool in surface-mediated process studies, such as lubrication, liquid coating, and thermoflow. Full article
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20 pages, 4466 KiB  
Article
Mineral Geochemistry of Basaltic Rocks from IODP Expeditions 334 and 344: Implications for Magmatic Processes of Cocos Ridge Segment Being Subducted Beneath the Middle America Trench
by Quanshu Yan and Zhenmin Ge
Minerals 2021, 11(7), 769; https://doi.org/10.3390/min11070769 - 16 Jul 2021
Cited by 1 | Viewed by 2641
Abstract
The Cocos Ridge, which is subducted beneath the Central American Volcanic Arc, has a complex tectonic evolution history due to plume-ridge interaction between the Galápagos plume and the Cocos—Nazca spreading center. This study presents major and trace element analyses of plagioclase and clinopyroxenes [...] Read more.
The Cocos Ridge, which is subducted beneath the Central American Volcanic Arc, has a complex tectonic evolution history due to plume-ridge interaction between the Galápagos plume and the Cocos—Nazca spreading center. This study presents major and trace element analyses of plagioclase and clinopyroxenes hosted by Cocos Ridge basaltic rocks that were drilled in three holes (U1381A, U1381C and U1414A) of Sites U1381 and U1414 on the Cocos Ridge close to the Middle America Trench during the Integrated Ocean Drilling Program (IODP) Expeditions 334 and 344. The results show that (1) plagioclases are mainly bytownite and labradorite with subordinate andesine, which are enriched in light rare earth elements (LREE) and some large-ion lithophile elements (LILE) and exhibit marked positive Eu anomalies; and (2) that clinopyroxenes are augites, which are depleted in highly incompatible elements such as LREE and LILE, have nearly flat heavy rare earth elements patterns (HREE) and lack Eu anomalies in chondrite-normalized rare earth element (REE) diagrams. During the ascent to the surface, the primary magmas experienced fractional crystallization of plagioclase, clinopyroxene, Ti-Fe oxides and possibly olivine (complete replacement of olivine by secondary minerals). The crystallization temperatures of plagioclase phenocrysts and microlites are 1050 to 1269 °C, and 866 to 1038 °C, respectively, and the pressures of plagioclase phenocrysts are 0.3–0.7 GPa. The crystallization temperatures of clinopyroxene phenocrysts/micro-phenocrysts is 1174–1268 °C, similar to those of plagioclase phenocrysts, suggesting some of clinopyroxene and plagioclase phenocrysts cotectic crystallized during early stage of magmatic evolution. In addition, the equilibrium pressures of clinopyroxene phenocrysts/micro phenocrysts are 0.02–0.97 GPa, implying that the clinopyroxene started to crystallize within the mantle, and magma evolution has undergone an early crystallization stage with clinopyroxene and no plagioclase. Full article
(This article belongs to the Section Mineral Geochemistry and Geochronology)
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22 pages, 5052 KiB  
Review
High-Pressure Torsion of Non-Equilibrium Hydrogen Storage Materials: A Review
by Ádám Révész and Marcell Gajdics
Energies 2021, 14(4), 819; https://doi.org/10.3390/en14040819 - 4 Feb 2021
Cited by 27 | Viewed by 4360
Abstract
As the most abundant element in the world, hydrogen is a promising energy carrier and has received continuously growing attention in the last couple of decades. At the very moment, hydrogen fuel is imagined as the part of a sustainable and eco-friendly energy [...] Read more.
As the most abundant element in the world, hydrogen is a promising energy carrier and has received continuously growing attention in the last couple of decades. At the very moment, hydrogen fuel is imagined as the part of a sustainable and eco-friendly energy system, the “hydrogen grand challenge”. Among the large number of storage solutions, solid-state hydrogen storage is considered to be the safest and most efficient route for on-board applications via fuel cell devices. Notwithstanding the various advantages, storing hydrogen in a lightweight and compact form still presents a barrier towards the wide-spread commercialization of hydrogen technology. In this review paper we summarize the latest findings on solid-state storage solutions of different non-equilibrium systems which have been synthesized by mechanical routes based on severe plastic deformation. Among these deformation techniques, high-pressure torsion is proved to be a proficient method due to the extremely high applied shear strain that develops in bulk nanocrystalline and amorphous materials. Full article
(This article belongs to the Special Issue Design of Materials for Solid State Hydrogen Storage)
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13 pages, 5243 KiB  
Communication
Comparative Study of Cold Sintering Process and Autoclave Thermo-Vapor Treatment on a ZnO Sample
by Yurii Ivakin, Andrey Smirnov, Anastasia Kholodkova, Alexander Vasin, Mikhail Kormilicin, Maxim Kornyushin and Vladimir Stolyarov
Crystals 2021, 11(1), 71; https://doi.org/10.3390/cryst11010071 - 16 Jan 2021
Cited by 14 | Viewed by 3697
Abstract
Analysis of scanning electron microscopy images was used to study the changes in the crystal size distribution of ZnO, which occurred during its processing in an aqueous medium at 220–255 °C and an equilibrium vapor pressure in an autoclave. The results were compared [...] Read more.
Analysis of scanning electron microscopy images was used to study the changes in the crystal size distribution of ZnO, which occurred during its processing in an aqueous medium at 220–255 °C and an equilibrium vapor pressure in an autoclave. The results were compared with those of ZnO placed in a die for treatment under similar conditions supplemented with mechanical pressure application in the cold sintering process. In both cases, ZnO was treated in the presence of an activating additive: either zinc acetate or ammonium chloride. During autoclaving, a powder consisting of fine ZnO monocrystals was obtained, while the cold sintering process led to ceramics formation. Under vapor pressure and mechanical pressure, the aqueous medium affected ZnO transformation by the same mechanism of solid-phase mobility activation due to the additives’ influence. The higher the content of additives in the medium, and the higher the mechanical pressure, the more pronounced activating effect was observed. Mass transfer during the cold sintering process occurred mainly by the coalescence of crystals, while without mechanical pressure, the predominance of surface spreading was revealed. In the initial ZnO powder, the average crystal size was 0.193 μm. It grew up to 0.316–0.386 μm in a fine-crystalline powder formed in the autoclave and to an average grain size of 0.244–0.799 μm in the ceramics, which relative density reached 0.82–0.96. A scheme explaining the influence of an aqueous medium on the solid-phase mobility of ZnO structure was proposed. It was found that the addition of 7.6 mol% ammonium chloride to the reaction medium causes the processes of compaction and grain growth similar to those observed in ZnO Cold Sintering Process with the addition of 0.925 mol% zinc acetate. Full article
(This article belongs to the Special Issue Advanced Functional Oxide Ceramics)
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19 pages, 3563 KiB  
Article
Enthalpies of Hydrate Formation from Hydrate Formers Dissolved in Water
by Bjørn Kvamme
Energies 2019, 12(6), 1039; https://doi.org/10.3390/en12061039 - 18 Mar 2019
Cited by 32 | Viewed by 3147
Abstract
The international interest in the energy potential related to the huge amounts of methane trapped in the form of hydrates is rapidly increasing. Unlike conventional hydrocarbon sources these natural gas hydrate deposits are widely spread around the world. This includes countries which have [...] Read more.
The international interest in the energy potential related to the huge amounts of methane trapped in the form of hydrates is rapidly increasing. Unlike conventional hydrocarbon sources these natural gas hydrate deposits are widely spread around the world. This includes countries which have limited or no conventional hydrocarbon sources, like for instance Japan. A variety of possible production methods have been proposed during the latest four decades. The pressure reduction method has been dominant in terms of research efforts and associated investments in large scale pilot test studies. Common to any feasible method for producing methane from hydrates is the need for transfer of heat. In the pressure reduction method necessary heat is normally expected to be supplied from the surrounding formation. It still remain, however, unverified whether the capacity, and heat transport capabilities of surrounding formation, will be sufficient to supply enough heat for a commercial production based on reduction in pressure. Adding heat is very costly. Addition of limited heat in critical areas (regions of potential freezing down) might be economically feasible. This requires knowledge about enthalpies of hydrate dissociation under various conditions of temperature and pressure. When hydrate is present in the pores then it is the most stable phase for water. Hydrate can then grow in the concentration range in between liquid controlled solubility concentrations, and the minimum concentration of hydrate in water needed to keep the hydrate stable. Every concentration in that range off concentrations results unique free energy and enthalpy of the formed hydrate. Similarly for hydrate dissociation towards water containing less hydrate former than the stability limit. Every outside liquid water concentration results in unique enthalpy changes for hydrate dissociation. There are presently no other available calculation approaches for enthalpy changes related to these hydrate phase transitions. The interest of using CO2 for safe storage in the form of hydrate, and associated CH4 release, is also increasing. The only feasible mechanism in this method involves the formation of new CO2 hydrate, and associated release of heat which assist in dissociating the in situ CH4 hydrate. Very limited experimental data is available for heats of formation (and dissociation), even for CH4. And most experimental data are incomplete in the sense that associated water/hydrate former rate are often missing or guessed. Thermodynamic conditions are frequently not precisely defined. Although measured hydrate equilibrium pressure versus temperature curves can be used there is still a need for additional models for volume changes, and ways to find other information needed. In this work we propose a simple and fairly direct scheme of calculating enthalpies of formation and dissociation using residual thermodynamics. This is feasible since also hydrate can be described by residual thermodynamics though molecular dynamics simulations. The concept is derived and explained in detail and also compared to experimental data. For enthalpy changes related to hydrate formation from water and dissolved hydrate formers we have not found experimental data to compare with. To our knowledge there are no other alternative methods available for calculating enthalpy changes for these types of hydrate phase transitions. And there are no limits in the theory for which hydrate phase transitions that can be described as long as chemical potentials for water and hydrate formers in the relevant phases are available from theoretical modeling and/or experimental information. Full article
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