Search Results (2,005)

The injection of CO₂ into coal reservoirs occurs in its supercritical state (ScCO₂), which significantly alters the pore structure and chemical composition of coal, thereby influencing the adsorption and diffusion behavior of methane (CH₄). Understanding these changes is crucial for optimizing CH₄ extraction and improving CO₂ sequestration efficiency. This study aims to investigate the effects of ScCO₂ on the pore structure, chemical bonds, and CH₄ diffusion mechanisms in bituminous coal to provide insights into coal reservoir stimulation and CO₂ storage. By utilizing high-pressure CO₂ injection adsorption, low-pressure CO₂ gas adsorption (LP-CO₂-GA), Fourier-transform infrared spectroscopy (FTIR), and reactive force field molecular dynamics (ReaxFF-MD) simulations, this study examines the multi-scale changes in coal at the nano- and molecular levels. The following results were found: Pore Structure Evolution: After ScCO₂ treatment, micropore volume increased by 19.1%, and specific surface area increased by 11.2%, while mesopore volume and specific surface area increased by 14.4% and 5.7%, respectively. Chemical Composition Changes: The content of aromatic structures, oxygen-containing functional groups, and hydroxyl groups decreased, while aliphatic structures increased. Specific molecular changes included an increase in (CH₂)_n, 2H, 1H, and secondary alcohol (-C-OH) and phenol (-C-O) groups, while Car-Car and Car-H bonds decreased. Mechanisms of Pore Volume Changes: The pore structure evolves through three distinct phases: Swelling Phase: Breakage of low-energy bonds generates new micropores. Aromatic structure expansion reduces intramolecular spacing but increases intermolecular spacing, causing a decrease in micropore volume and an increase in mesopore volume. Early Dissolution Phase: Continued bond breakage increases micropore volume, while released aliphatic and aromatic structures partially occupy these pores, converting some mesopores into micropores. Later Dissolution Phase: Minimal chemical bond alterations occur, but weakened π-π interactions and van der Waals forces between aromatic layers result in further mesopore volume expansion. Impact on CH₄ Diffusion: Changes in pore volume directly affect CH₄ migration. In the early stages of ScCO₂ interaction, pore shrinkage reduces the mean square displacement (MSD) and self-diffusion coefficient of CH₄. However, as the reaction progresses, pore expansion enhances CH₄ diffusion, ultimately improving gas extraction efficiency. This study provides a fundamental understanding of how ScCO₂ modifies coal structure and CH₄ transport properties, offering theoretical guidance for enhanced CH₄ recovery and CO₂ sequestration strategies. Full article

Star-forming galaxies are hosts of dominant populations of recently formed, hot, massive stars, which give rise to conspicuous stellar spectral features and provide the ionizing fluxes. Strong outflows of these stars shape their properties. These winds affect the evolution and the output of ionizing radiation, as well as the energy and momentum input in the interstellar medium and the chemical enrichment. Many properties of massive stars become even more extreme at a low metallicity. Owing to the pioneering observations of young, metal-poor stellar populations, both locally with HST and large ground-based facilities and at high redshift with JWST, we are at a key moment to assess our understanding of hot massive stars in these galaxies. Stellar population synthesis is a key tool. I will demonstrate how population models of hot, massive stars help to address some issues at the forefront of current research. The recent advent of new evolutionary and atmosphere models of massive stars probing new parameter space allows us to characterize the properties of nearby and distant populations. Full article

Carbon-based microwave absorption materials have garnered widespread attention as lightweight and efficient wave absorbers, emerging as a prominent focus in the field of functional materials research. In this work, FeNi₃ nanoparticles, synthesized in situ within graphite interlayers, were employed as catalysts to grow carbon nanofibers in situ via intercalation chemical vapor deposition (CVD). We discovered that amorphous carbon nanofibers (CNFs) can exfoliate and separate highly conductive graphite nanosheets (GNS) from the interlayers. Meanwhile, the carbon nanofibers eventually intertwine and encapsulate the graphite nanosheets, forming porous hybrids. This process induces significant changes in the electrical conductivity and electromagnetic parameters of the resulting GNS/CNF hybrids, enhancing the impedance matching between the hybrids and free space. Although this process slightly reduces the microwave loss capability of the hybrids, the balance between these effects significantly enhances their microwave absorption performance, particularly in the K_u band. Specifically, the optimized GNS/CNF hybrids, when mixed with paraffin at a 30 wt% ratio, exhibit a maximum microwave reflection loss of −44.1 dB at 14.6 GHz with a thickness of 1.5 mm. Their effective absorption bandwidth, defined as the frequency range with a reflection loss below −10 dB, spans the 12.5–17.4 GHz range, covering more than 80% of the K_u band. These results indicate that the GNS/CNF hybrids prepared via intercalation CVD are promising candidates for microwave absorption materials. Full article

A power-to-methanol (P2M) system is a promising energy storage approach in transforming surplus renewable energy into a chemical product while utilizing the captured CO₂ from conventional thermal power units. Most of the traditional methods for the optimal configuration of IES use the steady-state model of the equipment, while ignoring the dynamic deviation of the thermal power unit under variable operating conditions. This study enhances the steady-state model of the P2M system by incorporating feedback-based dynamic control for the thermal power generation (TPG) unit. A closed-loop state-space model of the TPG unit is introduced as an additional constraint within the optimization framework. Furthermore, a dynamic deviation index for the TPG unit is formulated and integrated into a mixed-integer linear programming (MILP) model. Together with the system’s annual operating cost over its life cycle, this index constitutes an objective function, aiming to minimize both the dynamic deviations and operating costs, thereby optimizing the capacity configuration of the P2M system’s components. The optimal results indicate that in the dynamic configuration, the hydrogen storage tank capacity increases by 94.73% and the electrolyzer capacity remains almost consistent, which shows the energy storage potential of the P2M. The optimized scheduling results show that the electrolyzer can effectively absorb the intermittency of renewable energy. This method of dynamic configuration planning can effectively suppress the thermal power unit output fluctuation, smooth the schedule curve, and realize the effect of peak shaving and valley filling. Full article

We herein present a comprehensive investigation of the eudialyte group minerals from the nepheline syenites of Rouma Island in the Los Archipelago, Conakry region, Guinea. Two distinct mineral phases were identified: an oneillite-like phase, associated with the agpaitic rock suite, and, for the first time in this locality, kentbrooksite, occurring in pegmatites. The oneillite-like phase crystallizes in the trigonal system (space group R3), with unit cell parameters a = 14.1489(2) Å, c = 30.1283(5) Å and an idealized crystal chemical formula of Na₁₅(Mn,REE)₃(Ca,Mn)₃(Fe,Mn)₃Zr₃(Zr,Si,Al,Nb,Ti)₁ (Si₂₅O₇₃)(O,OH,H₂O)₃(OH,Cl,F)₂. Kentbrooksite also exhibits trigonal symmetry (space group R3m), with unit cell parameters a = 14.2037(3) Å c = 30.1507(9) Å and an idealized formula of (Na,REE)₁₅(Ca,Mn)₆(Mn,Fe)₃Zr₃(Nb,Si)₁(Si₂₅O₇₃)(O,OH,H₂O)₃(F,Cl,OH)₂. Compared to the oneillite-like phase, kentbrooksite is markedly enriched in Mn and rare earth elements (REE). This geochemical distinction aligns with the progressive mineralogical evolution of the system, transitioning from the miaskitic to agpaitic suite (oneillite-like phase) and subsequently to pegmatites (kentbrooksite). These findings are consistent with the broader-scale observations regarding the syenite ring structure of the Los Archipelago. Full article

Sodium-ion batteries (SIBs) are a promising electrochemical energy storage system but face great challenges in developing fast-charging anodes. MXene-based composites are a new class of two-dimensional materials that are expected to be widely used in SIB energy storage due to their excellent electrical conductivity and stable structure. However, MXenes tend to experience interlayer stacking during preparation, which can result in poor electrochemical performance and a lower actual capacity compared to the theoretical value. In this study, the porous structure was created using a chemical oxidation method from a microscopic perspective. The porous MXene (referred to as PM) was prepared by using a low concentration of hydrogen peroxide as the pore-forming solution, which enlarged the interlayer spacing to facilitate the transport of sodium ions in the electrolyte solution. The PM with the addition of hydrogen peroxide solution achieved high-rate performance, with a capacity of 247 mAh g⁻¹ at 0.1 A g⁻¹ and 114 mAh g⁻¹ at 10 A g⁻¹. It also demonstrated long-cycle stability, with a capacity of 117 mAh g⁻¹ maintained over 1000 cycles at 5 A g⁻¹. Full article

This study investigates the current state of research on confined-space work safety both domestically and internationally. Utilizing literature from the China National Knowledge Infrastructure (CNKI) and Web of Science (WoS) databases as primary sources, CiteSpace was employed for a visual knowledge mapping analysis. By comparing the Chinese and English literature, research hotspots and developmental trends in this field across different regions were identified. The results indicate that research on confined-space work safety in China is relatively limited and commenced later than in other regions. There is a low level of cooperation among domestic organizations and authors, and interdisciplinary collaboration needs significant improvement, hindering the advancement of communication within the discipline. In China, research has long focused on accidents and asphyxiation in confined spaces, particularly within industrial and commercial enterprises, with chemical enterprise safety emerging as a potential future research hotspot. Conversely, the English-language literature has historically focused on the mechanisms of accidents, with recent years seeing a diversification of research topics. In the future, the prevention and control of risks associated with confined-space work will likely focus on mitigating risks at the source. This will include incorporating safety considerations during the design stage and utilizing automated technologies to minimize the necessity for personnel entry, thereby reducing inherent risks. This study can help researchers to comprehensively learn hotspots and trends in confined-space work safety in China and internationally, and to identify potential directions for future research. Full article

Over the years, our research group developed dehydrodipeptides N-capped with aromatic moieties as protease-resistant efficacious hydrogelators, affording self-assembled hydrogels at low (critical) concentrations. Dehydrotripeptides, with different dipeptide sequences and (D,L) stereochemistry, open a wider chemical space for the development of self-assembled soft nanomaterials. In this work, a small library of N-succinylated dehydrotripeptides containing a C-terminal dehydrophenylalanine (∆Phe) residue and a scrambled dipeptide sequence with phenylalanine (Phe) and homophenylalanine (Hph) (L-Phe-L,D-Hph and L,D-Hph-L-Phe) was synthesized and characterized as a potential hydrogelator. Two pairs of diastereomeric tripeptides were synthesized, both as C-protected methyl esters and as deprotected dicarboxylic acids. Peptides with the sequence Hph-Phe-ΔPhe were obtained as a pair (D,L,Z)/(L,L,Z) of diastereomers. Their scrambled sequence analogues Phe-Hph-ΔPhe were obtained also as a diastereomeric (L,D,Z)/(L,L,Z) pair. The effect of stereochemistry (homo- vs. hetero-chirality) and sequence (Phe-∆Phe vs. Hph-∆Phe motif) on the self-assembly, biocompatibility, gelation and rheological properties of the hydrogels was studied in this work. Accessible, both as C-protected methyl esters and as dicarboxylic acids, N-succinylated dehydrotripeptides are interesting molecular architectures for the development of supramolecular nanomaterials. Interestingly, our results do not comply with the well-documented proposition that heterochiral peptides display much higher self-assembly propensity and gelation ability than their homochiral counterparts. Further studies will be necessary to fully understand the interplay between peptide sequence and homo- and hetero-chirality on peptide self-assembly and on the properties of their supramolecular materials. Full article

The reaction between methanol radical cations and methane, producing methyl radicals and protonated methanol, is pivotal to both astrochemical and atmospheric processes. Methanol and methane are the most abundant organic molecules in space and Earth’s atmosphere and central to molecular synthesis under different environmental conditions. Here, we present a combined experimental and theoretical investigation of the ion–molecule reaction between CH₃OH^•+ and CH₄. The study explores the reaction mechanism and energetics under ionized conditions utilizing quantum chemical methods and experimental data. The findings reveal that the reaction’s non-thermal behavior becomes pronounced when CH₃OH^•+ is vibrationally excited by photon absorption above the ionization threshold, as can happen in the presence of ionizing agents like cosmic rays. Conversely, in thermal equilibrium conditions, the reaction accelerates as temperatures decrease, as suggested by canonical rate coefficient calculations. The products can initiate further chemical reactions, shaping molecular networks in the interstellar medium and affecting atmospheric trace gas balances. Full article

This study outlines the sustainable synthesis of novel hydroxytyrosol (HT) and tyrosol (T) ester derivatives via a Pd-catalyzed alkoxycarbonylation of aromatic iodides. The high sustainability of the process is attributed to the use of (1) a solid carbon monoxide source, Mo(CO)₆, in place of dangerous gaseous CO; (2) a biomass-derived organic solvent, CPME (cyclopentyl methyl ether); (3) naturally occurring hydroxylated compounds, such as HT and T, which could be derived from agricultural waste rather than produced from petroleum-based sources. The method enables the regioselective preparation of various HT and T esters in a short reaction time (4–8 h), under mild temperatures (80 °C), and with moderate-to-excellent yields (62–93%). Moreover, in vitro biological tests have demonstrated that, in addition to the well-known antioxidant properties typical of natural phenolic compounds such as HT and T, some of the newly synthesized derivatives have a safe profile and are effective inhibitors of the α-glucosidase with potential application in the management of hyperglycemia. This synthetic approach offers a promising strategy for exploring biologically relevant chemical space, bridging the gap between natural products and sustainable drug synthesis. Full article

Water quality evaluation usually relies on limited state-controlled monitoring data, making it challenging to fully capture variations across an entire basin over time and space. The fine estimation of water quality in a spatial context presents a promising solution to this issue; however, traditional analyses often ignore spatial non-stationarity between variables. To solve the above-mentioned problems in water quality mapping research, we took the Yangtze River as our study subject and attempted to use a geographically weighted random forest regression (GWRFR) model to couple massive station observation data and auxiliary data to carry out a fine estimation of water quality. Specifically, we first utilized state-controlled sections’ water quality monitoring data as input for the GWRFR model to train and map six water quality indicators at a 30 m spatial resolution. We then assessed various geographical and environmental factors contributing to water quality and identified spatial differences. Our results show accurate predictions for all indicators: ammonia nitrogen (NH₃-N) had the lowest accuracy (R² = 0.61, RMSE = 0.13), and total nitrogen (TN) had the highest (R² = 0.74, RMSE = 0.48). The mapping results reveal total nitrogen as the primary pollutant in the Yangtze River basin. Chemical oxygen demand and the permanganate index were mainly influenced by natural factors, while total nitrogen and total phosphorus were impacted by human activities. The spatial distribution of critical influencing factors shows significant clustering. Overall, this study demonstrates the fine spatial distribution of water quality and provides insights into the influencing factors that are crucial for the comprehensive management of water environments. Full article

Research on the multi-field coupling effects in rocks has been ongoing for several decades, encompassing studies on single physical fields as well as two-field (TH, TM, HM) and three-field (THM) couplings. However, the environmental conditions of rock masses in deep resource extraction and underground space development are highly complex. In such settings, rocks are put through thermal-hydrological-mechanical-chemical (THMC) coupling effects under peak temperatures, strong osmotic pressures, extreme stress, and chemically reactive environments. The interaction between these fields is not a simple additive process but rather a dynamic interplay where each field influences the others. This paper provides a comprehensive analysis of fragmentation evolution, deformation mechanics, mechanical constitutive models, and the construction of coupling models under multi-field interactions. Based on rock strength theory, the constitutive models for both multi-field coupling and creep behavior in rocks are developed. The research focus on multi-field coupling varies across industries, reflecting the diverse needs of sectors such as mineral resource extraction, oil and gas production, geothermal energy, water conservancy, hydropower engineering, permafrost engineering, subsurface construction, nuclear waste disposal, and deep energy storage. The coupling of intense stress, fluid flow, temperature, and chemical factors not only triggers interactions between these fields but also alters the physical and mechanical properties of the rocks themselves. Investigating the mechanical behavior of rocks under these conditions is essential for averting accidents and assuring the soundness of engineering projects. Eventually, we discuss vital challenges and future directions in multi-field coupling research, providing valuable insights for engineering applications and addressing allied issues. Full article

In this paper, high-purity zinc selenide (ZnSe) prepared by the Chemical Vapor Deposition (CVD) method was used as the raw material, and iron ion-doped zinc selenide polycrystals were successfully fabricated through the thermal diffusion method at 1100 °C for 30 h. The results showed that iron ions (Fe²⁺) successfully penetrated into the zinc selenide crystals, but the concentration of iron ions inside the crystals was relatively low, and the crystals exhibited numerous defects. To address this issue, we performed secondary sintering and annealing on the samples under high-temperature and high-pressure (HPHT) conditions, with the annealing temperature range set at 900–1200 °C. The results demonstrated that, under the synergistic effects of high temperature and high pressure, the lattice spacing in the crystals significantly decreased, defects were reduced, the distribution of iron ions became more uniform, and the concentration of iron ions in the central region increased. Additionally, the density and hardness of the samples were significantly improved. The method of secondary sintering under high-temperature and high-pressure provides a novel approach for the preparation of iron ion-doped zinc selenide polycrystalline ceramics, contributing to the enhancement of ceramic properties. Full article

We present structural, morphological, optical and photocatalytic properties of multiferroic Bi_0.98Ba_0.02FeO₃ (BBFO2) perovskite thin films prepared by a combined sol–gel and spin-coating method. X-ray diffraction (XRD) analysis revealed that all the perovskite films consisted of the stable polycrystalline rhombohedral phase structure (space group R3c) with a tolerance factor of 0.892. By using Rietveld refinement of diffractogram XRD data, crystallographic parameters, such as bond angle, bond length, atom position, unit cell parameters, and electron density measurements were computed. Scanning electron microscopy (SEM) allowed us to assess the homogeneous and smooth surface morphology of the films with a small degree of porosity, while chemical surface composition characterization by X-ray photoelectron spectroscopy (XPS) showed the presence of Bi, Fe, O and the doping element Ba. Absorption measurements allowed us to determine the energy band gap of the films, while photoluminescence measurements have shown the presence of oxygen vacancies, which are responsible for the enhanced photocatalytic activity of the material. Photocatalytic degradation experiments of Methylene Blue (MB), Methyl orange (MO), orange G (OG), Violet and Rhodamine B (RhB) performed on top of BBFO2 thin films under solar light showed the degradation of all pollutants in varying discoloration efficiencies, ranging from 81% (RhB) to 54% (OG), 53% (Violet), 47% (MO) and 43% (MB). Full article

There is a growing need for novel methods to modify the surfaces of a wide range of materials over large areas. Here, we demonstrate the creation of low-reflectance ($R<2\%$) surfaces in the near-to-mid infrared (IR) spectral window of 2–20 $\mathsf{\mu }$m by ablating W, Al, and Cu with high average intensity 20–120 TW/cm², 200 fs laser pulses at 1030 nm wavelength. The chemical modifications of the surfaces by laser ablation under ambient room conditions were analyzed using X-ray photoelectron spectroscopy (XPS). The results show a consistent decrease in the metallic component, accompanied by an increase in metal oxides. Energy dispersive spectroscopy (EDS) showed a similar increase in oxygen content over a micrometer depth scale. The reduced refractive index of the metal oxides compared to the corresponding metals contributes to the reduction in IR reflectance, combined with the formation of 3D hierarchically textured surface structures. These IR-black metals exhibit great potential for radiative cooling at elevated temperatures relevant to industrial and space applications. Full article