Search Results (29,464)

Natural hydrogen is generated by fairly deep processes and/or in low-permeability rocks. In such contexts, fluids circulate mainly through the network of faults and fractures. However, hydrogen flows from these hydrogen-generating layers can reach sedimentary rocks with more typical permeability and porosity, allowing H₂ flows to spread out rather than be concentrated in fractures. In that case, three different H₂ transport modes exist: advection (displacement of water carrying dissolved gas), diffusion, and free gas Darcy flow. Numerical models have been run to compare the efficiency of these different modes and the pathway they imply for the H₂ in a sedimentary basin with active aquifers. The results show the key roles of these aquifers but also the competition between free gas flow and the dissolved gas displacement which can go in opposite directions. Even with a conservative hypothesis on the H₂ charge, a gaseous phase exists at few kilometers deep as well as free gas accumulation. Gaseous phase displacement could be the faster and diffusion is neglectable. The modeling also allows us to predict where H₂ is expected in the soil: in fault zones, eventually above accumulations, and, more likely, due to exsolution, above shallow aquifers. Full article

The synthesis of “green ammonia” from “green hydrogen” represents a critical pathway for renewable energy integration and industrial decarbonization. This study investigates the green ammonia synthesis process using an axial–radial fixed-bed reactor equipped with three catalyst layers. A simplified two-dimensional physical model was developed, and a multiscale simulation approach combining computational fluid dynamics (CFD) with physics-informed neural networks (PINNs) employed. The simulation results demonstrate that the majority of fluid flows axially through the catalyst beds, leading to significantly higher temperatures in the upper bed regions. The reactor exhibits excellent heat exchange performance, ensuring effective preheating of the feed gas. High-pressure zones are concentrated near the top and bottom gas outlets, while the ammonia mole fraction approaches 100% near the bottom outlet, confirming superior conversion efficiency. By integrating PINNs, the prediction accuracy was substantially improved, with flow field errors in the catalyst beds below 4.5% and ammonia concentration prediction accuracy above 97.2%. Key reaction kinetic parameters (pre-exponential factor k₀ and activation energy Ea) were successfully inverted with errors within 7%, while computational efficiency increased by 200 times compared to traditional CFD. The proposed CFD–PINN integrated framework provides a high-fidelity and computationally efficient simulation tool for green ammonia reactor design, particularly suitable for scenarios with fluctuating hydrogen supply. The reactor design reduces energy per unit ammonia and improves conversion efficiency. Its radial flow configuration enhances operational stability by damping feed fluctuations, thereby accelerating green hydrogen adoption. By reducing fossil fuel dependence, it promotes industrial decarbonization. Full article

The development of gas sensors with high sensitivity and low operating temperatures is essential for practical applications in environmental monitoring and industrial safety. SnO₂-based gas sensors, despite their widespread use, often suffer from high working temperatures and limited sensitivity to H₂ gas, which presents significant challenges for their performance and application. This study addresses these issues by introducing a novel SnO₂-based sensor featuring a three-dimensional (3D) nanostructure, designed to enhance sensitivity and allow for room-temperature operation. This work lies in the use of a 3D anodic aluminum oxide (AAO) template to deposit SnO₂ nanoparticles through ultrasonic spray pyrolysis, followed by modification with platinum (Pt) nanoparticles to further enhance the sensor’s response. The as-prepared sensors were extensively characterized, and their H₂ sensing performance was evaluated. The results show that the 3D nanostructure provides a uniform and dense distribution of SnO₂ nanoparticles, which significantly improves the sensor’s sensitivity and repeatability, especially in H₂ detection at room temperature. This work demonstrates the potential of utilizing 3D nanostructures to overcome the traditional limitations of SnO₂-based sensors. Full article

One of the advantages of the EPR spectroscopy method in assessing structural defects caused by irradiation is the fact that using this method it is possible to determine not only the concentration dependences of the defect structure but to also establish their type, which is not possible with methods such as X-ray diffraction or scanning electron microscopy. Based on the data obtained, the role of variation in the ratio of components in Li₄SiO₄–Li₂TiO₃ ceramics on the processes of softening under high-dose irradiation with protons simulating the accumulation of hydrogen in the damaged layer, as well as the concentration of structural defects in the form of oxygen vacancies and radiolysis products on the processes of high-temperature degradation of ceramics, was determined. It was found that the main changes in the defect structure during the prolonged thermal exposure of irradiated samples are associated with the accumulation of oxygen vacancies, the density of which was estimated by the change in the intensity of singlet lithium, characterizing the presence of E-centers. At the same time, it was found that the formation of interphase boundaries in the structure of Li₄SiO₄–Li₂TiO₃ ceramics leads to the inhibition of high-temperature degradation processes in the case of post-radiation thermal exposure for a long time. Also, during the conducted studies, the role of thermal effects on the structural damage accumulation rate in Li₄SiO₄–Li₂TiO₃ ceramics was determined in the case when irradiation is carried out at different temperatures. During the experiments, it was determined that the main contribution of thermal action in the process of proton irradiation at a fluence of 5 × 10¹⁷ proton/cm² is an increase in the concentration of radiolysis products, described by changes in the intensities of spectral maxima, characterized by the presence of defects such as ≡Si–O, SiO₄³⁻ and Ti³⁺ defects. Full article

The continuous occurrence of steroidal pharmaceutical dexamethasone (DXM) in aqueous environments indicates the need for an efficient removal technology. The frequent detection of DXM in surface water could be substantially reduced by the application of photo-induced advanced oxidation technology. In the present study, Fe²⁺ and UVA-light activated peroxo compounds were applied for the degradation and mineralization of a glucocorticoid, 25.5 µM DXM, in ultrapure water (UPW). The treatment efficacies were validated in real spring water (SW). A 120 min target pollutant degradation followed pseudo first-order reaction kinetics when an oxidant/Fe²⁺ dose 10/1 or/and UVA irradiation were applied. Acidic conditions (a pH of 3) were found to be more favorable for DXM oxidation (≥99%) regardless of the activated peroxo compound. Full conversion of DXM was not achieved, as the maximum TOC removal reached 70% in UPW by the UVA/H₂O₂/Fe²⁺ system (molar ratio of 10/1) at a pH of 3. The higher efficacy of peroxymonosulfate-based oxidation in SW could be induced by chlorine, bicarbonate, and carbonate ions; however, it is not applicable for peroxydisulfate and hydrogen peroxide. Overall, consistently higher efficacies for HO^•-dominated oxidation systems were observed. The findings from the current paper could complement the knowledge of oxidative removal of low-level DXM in real water matrices. Full article

Taconis oscillations represent spontaneous excitation of acoustic modes in tubes with large temperature gradients in cryogenic systems. In this study, Taconis oscillations in hydrogen and helium systems are enhanced with a porous material resulting in a standing-wave thermoacoustic engine. A theoretical model is developed using the thermoacoustic software DeltaEC, version v6.4b2.7, to predict system performance, and an experimental apparatus is constructed for engine characterization. The low-amplitude thermoacoustic model predicts the pressure amplitude, frequency, and temperature gradient required for excitation of the standing-wave system. Experimental measurements, including the onset temperature ratio, acoustic pressure amplitudes, and frequencies, are recorded for different stack materials and geometries. The findings indicate that, independent of stack, hydrogen systems excite at smaller temperature differentials than helium (because of different properties such as lower viscosity for hydrogen), and the stack geometry and material affect the onset temperature ratio. However, pressure amplitude in the excited states varies minimally. Initial measurements are also conducted in a cooling setup with an added regenerator. The configuration with stainless-steel mesh screens produces a small cryogenic refrigeration effect with a decrease in temperature of about 1 K. The reported characterization of a Taconis-based thermoacoustic engine can be useful for the development of novel thermal management systems for cryogenic storage vessels, including refrigeration and pressurization. Full article

The main advantage of using biomass for energy generation is the reduction in carbon dioxide emissions. For a fast reduction effect, it is important to use biomass characterised by an annual growth cycle. These may be fallen leaves. The fuel properties of the leaves can change during the growth period. These changes can result from both the natural growth process and environmental factors—particulate matter adsorption. The main objective was to determine changes in the characteristics of leaves and needles during the growth period (from May to October). Furthermore, to determine the effect of adsorbed particulate matter, the washing process was carried out. Studies were carried out for three tree species: Norway maple, horse chestnut and European larch. Proximate and ultimate analysis was performed and mercury content was determined. During the growth period, beneficial changes were observed: an increase in carbon content and a decrease in hydrogen and sulphur content. The unfavourable change was a significant increase in ash content, which caused a decrease in calorific value. The increase in ash content was caused by adsorbed particulate matter. They were mostly absorbed by the tissues of the needle and leaves and could not be removed by washing the surface. Full article

430 stainless steel exhibits soft magnetic properties, excellent formability, and corrosion resistance, making it widely used in industrial applications. This study investigates the effects of different cold working rates on the properties of 430 stainless steel subjected to various magnetic annealing atmospheres (F-1.5Si, F-1.5Si-10%, F-1.5Si-40%, F-1.5Si-10% (MA), F-1.5Si-40% (MA), F-1.5Si-10% (H₂), and F-1.5Si-40% (H₂)). The results indicate that increasing the cold working rate improves the material’s mechanical properties; however, it negatively impacts its magnetic and corrosion resistance properties. Additionally, the magnetic annealing process improves the mechanical properties, while atmospheric magnetic annealing optimizes the overall magnetic performance. In contrast, magnetic annealing in a hydrogen atmosphere does not enhance the magnetic properties as effectively as atmospheric magnetic annealing. Still, it promotes the formation of a protective layer, preserving the mechanical properties and providing better corrosion resistance. Furthermore, regardless of whether magnetic annealing is conducted in an atmospheric or hydrogen environment, materials with 10% cold work rate (F-1.5Si-10% (MA) and F-1.5Si-10% (H₂)) exhibit the lowest coercive force (286 and 293 A/m in the 10 Hz test condition), making them ideal for electromagnetic applications. Full article

The transition to green energy in the transport sector is becoming a priority in the context of global climate challenges and the European Green Deal. This paper investigates the development of alternative fuelling stations, particularly electric vehicle (EV) charging infrastructure and hydrogen stations, across EU countries with a focus on Poland. It combines a policy and technology overview with a quantitative scientific analysis, offering a multidimensional perspective on green infrastructure deployment. A Pearson correlation analysis reveals significant links between charging station density and both GDP per capita and the share of renewable energy. The study introduces an original Infrastructure Accessibility Index (IAI) to compare infrastructure availability across EU member states and models Poland’s EV charging station demand up to 2030 under multiple growth scenarios. Furthermore, the article provides a comprehensive overview of biofuels, including first-, second-, and third-generation technologies, and highlights recent advances in hydrogen and renewable electricity integration. Emphasis is placed on life cycle considerations, energy source sustainability, and economic implications. The findings support policy development toward zero-emission mobility and the decarbonisation of transport systems, offering recommendations for infrastructure expansion and energy diversification strategies. Full article

The high cost of hydrogen production is the primary factor limiting the development of the hydrogen energy industry chain. Additionally, due to the inefficiency of hydrogen production by water electrolysis technology, the development of high-performance catalysts is an effective means of producing low-cost hydrogen. In water electrolysis technology, the electrocatalytic activity of the electrode affects the kinetics of the oxygen evolution reaction (OER) and the hydrogen evolution rate. This study utilizes the liquid phase co-precipitation method to synthesize three types of Prussian blue analog (PBA) electrocatalytic materials: Fe/PBA(Fe₄[Fe(CN)₆]₃), Fe-Mn/PBA((Fe, Mn)₃[Fe(CN)₆]₂·nH₂O), and Fe-Mn-Co/PBA((Mn, Co, Fe)₃^II[Fe^III(CN)₆]₂·nH₂O). X-ray diffraction (XRD) and scanning electron microscopy (SEM) analyses show that Fe-Mn-Co/PBA has a smaller particle size and higher crystallinity, and its grain boundary defects provide more active sites for electrochemical reactions. The electrochemical test shows that Fe-Mn-Co/PBA exhibits the best electrochemical performance. The overpotential of the oxygen evolution reaction (OER) under 1 M alkaline electrolyte at 10/50 mA·cm⁻² is 270/350 mV, with a Tafel slope of 48 mV·dec⁻¹, and stable electrocatalytic activity is maintained at 5 mA·cm⁻². All of these are attributed to the synergistic effect of Fe, Mn, and Co metal ions, grain refinement, and the generation of grain boundary defects and internal stresses. Full article

A new approach to the synthesis of a nanosized and hierarchical titanosilicate, TS-1, is presented. Instead of using specific solid or additional mesoporous templates or individual additives to slow down the hydrolysis of titanium alkoxides, it is proposed that the titanosilicate TS-1 can be obtained from gels synthesized with hydrolysis catalysts (HNO₃ and tetrapropylammonium hydroxide). When nitric acid catalyzes tetraethyl orthosilicate (TEOS) hydrolysis, the resulting crystalline TS-1 that can be obtained has uniform particle sizes (150–180 nm), is anatase-free, and contains up to 46–67% of mesopores. When a base catalyst is applied, the obtained material’s features are opposite. Moreover, acid-promoted TS-1 samples catalyze cyclohexene H₂O₂-oxidation via a heterolytic route to the cyclohexane epoxide with 67% selectivity, which is non-typical. Full article

Hormone-dependent breast cancer, particularly in its treatment-resistant forms, remains a significant therapeutic challenge. In this study, we applied a fully computational strategy to design steroid-based compounds capable of simultaneously targeting three key receptors involved in disease progression: progesterone receptor (PR), estrogen receptor alpha (ER-α), and HER2. Using a robust 3D-QSAR model (R² = 0.86; Q²_LOO = 0.86) built from 52 steroidal structures, we identified molecular features associated with high anticancer potential, specifically increased polarizability and reduced electronegativity. From a virtual library of 271 DFT-optimized analogs, 31 compounds were selected based on predicted potency (pIC₅₀ > 7.0) and screened via molecular docking against PR (PDB 2W8Y), HER2 (PDB 7JXH), and ER-α (PDB 6VJD). Seven candidates showed strong binding affinities (ΔG ≤ −9 kcal/mol for at least two targets), with Estero-255 emerging as the most promising. This compound demonstrated excellent conformational stability, a robust hydrogen-bonding network, and consistent multitarget engagement. Molecular dynamics simulations over 100 nanoseconds confirmed the structural integrity of the top ligands, with low RMSD values, compact radii of gyration, and stable binding energy profiles. Key interactions included hydrophobic contacts, π–π stacking, halogen–π interactions, and classical hydrogen bonds with conserved residues across all three targets. These findings highlight Estero-255, alongside Estero-261 and Estero-264, as strong multitarget candidates for further development. By potentially disrupting the PI3K/AKT/mTOR signaling pathway, these compounds offer a promising strategy for overcoming resistance in hormone-driven breast cancer. Experimental validation, including cytotoxicity assays and ADME/Tox profiling, is recommended to confirm their therapeutic potential. Full article

Catalytic upgrading of pyrolysis oils is an important step for producing replacement hydrocarbon-rich liquid biofuels from biomass and can help to advance pyrolysis technology. Catalysts play a pivotal role in influencing the selectivity of chemical reactions leading to the formation of main compounds in the final upgraded liquid products. The present work involved a systematic study of solvent-free catalytic reactions of cyclohexanone in the presence of hydrogen gas at 160 °C for 3 h in a batch reactor. Cyclohexanone can be produced from biomass through the selective hydrogenation of lignin-derived phenolics. Three types of catalysts comprising undoped NbOPO₄, 10 wt% NiO/NbOPO₄, and 30 wt% NiO/NbOPO₄ were studied. Undoped NbOPO₄ promoted both aldol condensation and the dehydration of cyclohexanol, producing fused ring aromatic hydrocarbons and hard char. With 30 wt% NiO/NbOPO₄, extensive competitive hydrogenation of cyclohexanone to cyclohexanol was observed, along with the formation of C₆ cyclic hydrocarbons. When compared to NbOPO₄ and 30 wt% NiO/NbOPO₄, the use of 10 wt% NiO/NbOPO₄ produced superior selectivity towards bi-cycloalkanones (i.e., C₁₂) at cyclohexanone conversion of 66.8 ± 1.82%. Overall, the 10 wt% NiO/NbOPO₄ catalyst exhibited the best performance towards the production of precursor compounds that can be further hydrodeoxygenated into energy-dense aviation fuel hydrocarbons. Hence, the presence and loading of NiO was able to tune the activity and selectivity of NbOPO₄, thereby influencing the final products obtained from the same cyclohexanone feedstock. This study underscores the potential of lignin-derived pyrolysis oils as important renewable feedstocks for producing replacement hydrocarbon solvents or feedstocks and high-density sustainable liquid hydrocarbon fuels via sequential and selective catalytic upgrading. Full article

The European Union promotes decarbonization in energy-intensive industries like glass manufacturing. Collaboration between industry and researchers focuses on reducing CO₂ emissions through hydrogen (H₂) integration as a natural gas substitute. However, to the best of the authors’ knowledge, no updated real-world case studies are available in the literature that consider the on-site implementation of an electrolyzer for autonomous hydrogen production capable of meeting the needs of a glass manufacturing plant within current technological constraints. This study examines a representative hollow glass plant and develops various decarbonization scenarios through detailed process simulations in Aspen Plus. The models provide consistent mass and energy balances, enabling the quantification of energy demand and key cost drivers associated with H₂ integration. These results form the basis for a scenario-specific techno-economic assessment, including both on-grid and off-grid configurations. Subsequently, the analysis estimates the levelized costs of hydrogen (LCOH) for each scenario and compares them to current and projected benchmarks. The study also highlights ongoing research projects and technological advancements in the transition from natural gas to H₂ in the glass sector. Finally, potential barriers to large-scale implementation are discussed, along with policy and infrastructure recommendations to foster industrial adoption. These findings suggest that hybrid configurations represent the most promising path toward industrial H₂ adoption in glass manufacturing. Full article

Minimizing carbon dioxide emissions is crucial due to the generation of energy from fossil fuels. The significance of carbon capture and storage (CCS) technology, which is highly successful in mitigating carbon emissions, has increased. On the other hand, hydrogen is an important energy carrier for storing and transporting energy, and technologies that rely on hydrogen have become increasingly promising as the world moves toward a more environmentally friendly approach. Nevertheless, the integration of CCS technologies into power production processes is a significant challenge, requiring the enhancement of the combined power generation–CCS process. In recent years, there has been a growing interest in process intensification (PI), which aims to create smaller, cleaner, and more energy efficient processes. The goal of this research is to demonstrate the process intensification potential and to model and simulate a hybrid integrated–intensified adsorptive-membrane reactor process for simultaneous carbon capture and hydrogen production. A comprehensive, multi-scale, multi-phase, dynamic, computational fluid dynamics (CFD)-based process model is constructed, which quantifies the various underlying complex physicochemical phenomena occurring at the pellet and reactor levels. Model simulations are then performed to investigate the impact of dimensionless variables on overall system performance and gain a better understanding of this cyclic reaction/separation process. The results indicate that the hybrid system shows a steady-state cyclic behavior to ensure flexible operating time. A sustainability evaluation was conducted to illustrate the sustainability improvement in the proposed process compared to the traditional design. The results indicate that the integrated–intensified adsorptive-membrane reactor technology enhances sustainability by 35% to 138% for the chosen 21 indicators. The average enhancement in sustainability is almost 57%, signifying that the sustainability evaluation reveals significant benefits of the integrated–intensified adsorptive-membrane reactor process compared to HTSR + LTSR. Full article