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15 pages, 4280 KB  
Review
Mechanisms of Microplastic Effects on Carbon and Nitrogen Cycling in Aquatic and Terrestrial Ecosystems
by Xintong Zhang, Yuxiao Chen, Chia Min Ho, Weiying Feng and Xuezheng Yu
Toxics 2026, 14(7), 551; https://doi.org/10.3390/toxics14070551 (registering DOI) - 24 Jun 2026
Abstract
An emerging environmental pollutant, microplastics have garnered global attention due to their widespread presence in soil and aquatic ecosystems. Early research primarily treated microplastics as single pollutants, focusing on their individual toxic effects. However, microplastics in the environment exist as a complex mixture, [...] Read more.
An emerging environmental pollutant, microplastics have garnered global attention due to their widespread presence in soil and aquatic ecosystems. Early research primarily treated microplastics as single pollutants, focusing on their individual toxic effects. However, microplastics in the environment exist as a complex mixture, comprising various polymer types, sizes, shapes, and aging states. This diversity influences how microplastics regulate ecosystem carbon and nitrogen cycles and intervene through pathways such as direct carbon input, physical disturbance, microbial community restructuring, and coupled effects. This paper systematically reviews the characteristics of microplastic diversity and its mechanisms influencing carbon and nitrogen cycles: the chemical structure of polymers determines bioavailability and degradation rate, with biodegradable plastics altering carbon and nitrogen transformations more significantly than conventional plastics; microplastics of different sizes affect nitrogen transformation dynamics by modulating specific surface area and microbial colonization, with small-sized biodegradable microplastics particularly inhibiting plant nitrogen uptake; aging modifies surface properties and dissolved organic carbon release, thereby enhancing their role in promoting greenhouse gas emissions. Existing studies are largely confined to short-term laboratory simulations, leaving a gap in understanding the comprehensive effects of microplastic diversity under long-term, field conditions. Future research should focus on standardized methods and long-term experiments with multi-factor coupling to provide a scientific basis for ecological risk assessment of microplastic pollution. Full article
(This article belongs to the Section Ecotoxicology)
20 pages, 4071 KB  
Article
Usage of Ternary Gas Mixtures to Promote the Capture of Hydrogen into Hydrates: H2/CH4/C3H8 and H2/CH4/C2H6 Case Studies
by Alberto Maria Gambelli, Luca Brunelli, Alessia Di Giuseppe, Fabiano Ferrari and Federico Rossi
Energies 2026, 19(13), 2967; https://doi.org/10.3390/en19132967 (registering DOI) - 24 Jun 2026
Abstract
Following the continuously growing demand and production of hydrogen, effective and high energy-density solutions for its storage need to be explored and validated. The present study deals with the capture of hydrogen into clathrate hydrates, at temperatures above 0 °C and relatively low [...] Read more.
Following the continuously growing demand and production of hydrogen, effective and high energy-density solutions for its storage need to be explored and validated. The present study deals with the capture of hydrogen into clathrate hydrates, at temperatures above 0 °C and relatively low pressures (<55 bar). As the formation conditions of pure hydrogen hydrates are unsuitable for industrial applications, hydrogen was firstly combined with methane, ethane and propane to form ternary gas mixtures. The role of support gases consisted in fitting both the small and the large cavities of hydrates well, thus ensuring the stability required for the hydrate lattice and allowing to hydrogen molecules to fit easily into the remaining empty cavities. Three different mixtures were selected, and the concentration of each species was defined according to the experimental results achieved in previous studies available in the literature. Chemical promoters were not used at this step, since the goal was to achieve qualitative information about the concentrations of hydrogen achievable with the proposed solution and not to maximize the volume of hydrates produced. For each species and depending on the blend of origin, the concentrations obtained in the hydrate phase were measured and reported in volume and by weight. Under the assumption of 100% cage occupancy, the quantity of each species captured in one cubic meter of hydrate, the energy corresponding to each species and the overall energy stored per unit volume of hydrate were calculated and discussed. Full article
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24 pages, 1117 KB  
Review
Environmental Behavior, Toxicological Pathways, and Risk Assessment of Polycyclic Aromatic Hydrocarbons (PAHs): From Molecular Structure to Human Health
by Joanna Harasym and Edyta Nizio
Molecules 2026, 31(13), 2211; https://doi.org/10.3390/molecules31132211 (registering DOI) - 23 Jun 2026
Abstract
Polycyclic aromatic hydrocarbons (PAHs) represent a major class of ubiquitous environmental pollutants, posing significant risks to ecosystems and human health due to their persistence, toxicity, and potential for bioaccumulation. This review provides a comprehensive synthesis of current scientific knowledge on PAHs, integrating insights [...] Read more.
Polycyclic aromatic hydrocarbons (PAHs) represent a major class of ubiquitous environmental pollutants, posing significant risks to ecosystems and human health due to their persistence, toxicity, and potential for bioaccumulation. This review provides a comprehensive synthesis of current scientific knowledge on PAHs, integrating insights from chemical kinetics, environmental fate, and toxicological mechanisms. The fundamental structural chemistry of PAHs and its direct influence on their physicochemical properties and environmental properties are discussed. The major anthropogenic and natural sources of PAHs are detailed, alongside the chemical kinetics behind their formation during incomplete combustion and their transformation in environmental media. Unlike previous reviews that address PAH sources, remediation, or health effects as separate topics, this review uniquely traces the mechanistic continuum from molecular formation kinetics through physicochemical partitioning and environmental transport to toxicological endpoints, providing a causally linked framework for understanding how structural properties ultimately determine biological outcomes. A central focus is placed on the environmental fate and transport of PAHs across atmospheric, aquatic, and terrestrial compartments, highlighting processes such as gas–particle partitioning, sediment accumulation, and long-range transport. The review further elucidates the complex toxicological pathways of PAHs, including metabolic activation to reactive intermediates, DNA adduct formation, oxidative stress, and their roles in carcinogenesis and other systemic health effects. The analysis reveals strong scientific consensus on the carcinogenic mechanism of parent PAHs via CYP450-mediated metabolic activation to diol-epoxide intermediates while identifying critical areas of uncertainty: the current regulatory framework based on 16 priority PAHs underestimates total carcinogenic risk by a factor of 2–5, mixture toxicology remains poorly characterized, and dose–response relationships for non-cancer endpoints (cardiovascular, neurodevelopmental, immunotoxic) lack the quantitative data needed for robust risk assessment. Finally, human exposure pathways and health risk characterization approaches are discussed, highlighting the need for cumulative, mixture-based assessment frameworks. Full article
(This article belongs to the Special Issue Featured Reviews in Organic Chemistry 2025–2026)
20 pages, 9545 KB  
Article
Comparative Study of Micro-Detail Replication in SAE H13 Tool Steel: Powder Hot Embossing vs. Material Extrusion Additive Manufacturing
by Elsa Wellenkamp Sequeiros, Fernando Ye Lin, Manuel Fernando Vieira and José Manuel Costa
Appl. Sci. 2026, 16(12), 6275; https://doi.org/10.3390/app16126275 (registering DOI) - 22 Jun 2026
Viewed by 76
Abstract
Micro-structured SAE H13 tool steel inserts for polymer injection molding require accurate replication of sub-millimeter features while retaining adequate densification and heat-treatment response. This study compared two powder-based routes on the same hemispherical insert containing pyramidal features of approximately 0.145 mm base width: [...] Read more.
Micro-structured SAE H13 tool steel inserts for polymer injection molding require accurate replication of sub-millimeter features while retaining adequate densification and heat-treatment response. This study compared two powder-based routes on the same hemispherical insert containing pyramidal features of approximately 0.145 mm base width: hot embossing (HE) of water-atomized SAE H13 powder (supplier d50 = 5.7 µm, irregular morphology) compounded with a commercial M1 binder, and material extrusion (MEX) of a commercial gas-atomized SAE H13 filament processed on a Markforged Metal X. Rheological screening selected a 57:43 vol% powder-to-binder ratio for the in-house HE feedstock, and DSC/TGA measurements defined two-step debinding windows. The best HE conditions were 220 °C, 8 MPa, and 45 min for the in-house mixture, and 210 °C, 8 MPa, and 30 min for the granulated commercial filament; the latter showed a 0.15% linear deviation from the silicone replica diameter among the best-rated samples. Under the tested commercial MEX configuration, the pyramidal features were not resolved because the 0.40 mm deposition line width exceeded the target feature base width, causing the slicer to omit the sub-line-width geometry. The defect populations differed qualitatively: HE specimens showed porosity and local cracking associated with powder morphology and pressureless sintering, whereas MEX specimens showed build-direction-aligned inter-raster voids associated with the toolpath. Microhardness and tensile data are therefore interpreted as process-history-specific results rather than as a direct route ranking, because sintering conditions were not uniform across all specimens. The study defines an experimentally bound process-selection limit for SAE H13 micro-tooling: HE remains preferable for sub-nozzle surface features, whereas MEX remains attractive for macro-scale geometric freedom, if resolution, densification, and post-sintering consolidation are addressed. Full article
(This article belongs to the Section Materials Science and Engineering)
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18 pages, 3192 KB  
Article
Study on Arc Characteristics and Structural Optimization of a 550 kV Environmentally Friendly Gas Circuit Breaker
by Nian Tang, Hanyue Zhao and Dongwei Sun
Plasma 2026, 9(2), 22; https://doi.org/10.3390/plasma9020022 (registering DOI) - 22 Jun 2026
Viewed by 119
Abstract
With increasingly stringent restrictions on SF6 greenhouse gas emissions, C4F7N-based gas mixtures have attracted considerable attention as promising alternatives for high-voltage circuit breakers; however, their relatively weaker arc-quenching capability poses significant challenges for interruption chamber design at high [...] Read more.
With increasingly stringent restrictions on SF6 greenhouse gas emissions, C4F7N-based gas mixtures have attracted considerable attention as promising alternatives for high-voltage circuit breakers; however, their relatively weaker arc-quenching capability poses significant challenges for interruption chamber design at high voltage levels. In this study, a 3.5% C4F7N/83.5% CO2/13% O2 gas mixture was used as the arc-extinguishing medium in a 550 kV environmentally friendly gas circuit breaker. Based on a magnetohydrodynamic (MHD) model considering PTFE nozzle ablation effects, systematic optimization studies were conducted on key structural parameters of the puffer-type interruption chamber, including the exhaust hole diameter, nozzle throat diameter and length, arcing contact diameter, and downstream expansion angle. Simulations under arcing times of 9.9 ms and 11.4 ms were performed to evaluate chamber pressure, axial temperature, extinction peak voltage, and post-arc conductance characteristics. The results indicate that extending the nozzle throat straight section to 70 mm, enlarging the exhaust hole, and increasing the moving contact radius can effectively enhance pressure buildup, reduce arc-core temperature, and improve dielectric recovery capability. Under the 11.4 ms arcing condition, the optimized structure achieved an extinction peak voltage of 6972.4 V and a G200 value of 0.731 ms, demonstrating substantially improved interruption performance. These findings reveal the synergistic relationship between arcing time and structural parameters and provide theoretical guidance for the engineering design of environmentally friendly high-voltage gas circuit breakers. Full article
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13 pages, 2456 KB  
Article
Effect of Helium Concentration on the Structural and Mechanical Degradation of Tungsten in High-Temperature Plasma
by Zarina Satbayeva, Bauyrzhan Rakhadilov, Yerasyl Naimankumaruly, Yernar Turabekov and Yelaman Batanov
Appl. Sci. 2026, 16(12), 6256; https://doi.org/10.3390/app16126256 (registering DOI) - 22 Jun 2026
Viewed by 76
Abstract
This paper presents a study of the structural and mechanical degradation of tungsten under steady-state mixed hydrogen–helium plasma (He/H2). The experiments were carried out on the KAZ-PSI linear plasma simulator at a surface temperature of 1100 °C, while the helium fraction [...] Read more.
This paper presents a study of the structural and mechanical degradation of tungsten under steady-state mixed hydrogen–helium plasma (He/H2). The experiments were carried out on the KAZ-PSI linear plasma simulator at a surface temperature of 1100 °C, while the helium fraction in the mixture was varied from 5% to 50%. Changes in surface morphology, roughness, phase composition, micromechanical response, and gas retention were analyzed using profilometry, scanning electron microscopy with energy-dispersive spectroscopy (SEM/EDS), X-ray diffraction (XRD), nanoindentation, and thermal desorption spectroscopy (TDS). The results show that increasing the helium fraction promotes the formation of a porous, defect-rich near-surface layer and modifies the gas-trapping behavior of tungsten. The surface roughness increases moderately from 0.031 μm for the initial polished state to 0.065 μm after exposure to a 50% He/50% H2 plasma. EDS and XRD confirm that the observed degradation is not associated with detectable oxidation, carburization, or the formation of secondary crystalline phases. The TDS results indicate that helium-related vacancy complexes and gas-filled pores act as deep trapping sites for hydrogen. Therefore, the helium-modified near-surface layer should be considered as a trapping barrier that localizes hydrogen in the radiation-damaged layer rather than as a quantitatively proven diffusion barrier blocking hydrogen penetration into the bulk. Full article
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18 pages, 4371 KB  
Article
Preparation of High-Quality Low-Temperature PECVD Silicon Nitride Films: Effect of NH3 Precursor on Film Properties and RF Response Mechanism
by Zhen Tang, Peng Yu, Yanli Qi, Zhuo Wang, Jianping Ning and Zhaohui Ren
Coatings 2026, 16(6), 737; https://doi.org/10.3390/coatings16060737 (registering DOI) - 21 Jun 2026
Viewed by 86
Abstract
With the shift in advanced packaging toward 3D integration and flexible electronics, it is becoming critical to produce high-quality silicon nitride films under low thermal budgets. To overcome the limitations of low-temperature deposition, this study compares two gas mixtures—SiH4/NH3/N [...] Read more.
With the shift in advanced packaging toward 3D integration and flexible electronics, it is becoming critical to produce high-quality silicon nitride films under low thermal budgets. To overcome the limitations of low-temperature deposition, this study compares two gas mixtures—SiH4/NH3/N2 and SiH4/N2—in plasma-enhanced chemical vapor deposition of silicon nitride coatings. We systematically evaluated how the NH3 precursor affects deposition kinetics, chemical bonds, non-uniformity, optical properties, and internal stress at different RF powers and electrode gaps. The test results show that NH3, with its lower dissociation energy, avoids the high activation barrier associated with pure N2 plasma, leading to a higher reactive nitrogen flux and a doubled deposition rate. In the SiH4/NH3/N2 system, raising RF power from 300 W to 900 W reduced hydrogen content from 23.58% to 12.25%. This suppression of hydrogen promoted structural densification, shifting the mechanical stress from 173.3 MPa to −989.7 MPa. At a larger electrode gap of 19 mm, NH3’s better diffusion characteristics offset the electric field sensitivity typical of N2 systems, reducing large-area film non-uniformity by 28.7% compared to a 13 mm gap. This work offers a practical, mass-production-friendly approach for depositing robust, low-hydrogen, highly uniform silicon nitride films at low temperatures. Full article
(This article belongs to the Special Issue 2D Materials-Based Thin Films and Coatings, 2nd Edition)
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38 pages, 5164 KB  
Article
Comparative Assessment of Diesel–Palm-Based Biodiesel and Green Diesel Blends on Engine Performance, Operating Parameters, and Acoustic Emissions in a Compression-Ignition Engine
by Nur Cahyo, Berkah Fajar Tamtomo Kiono, M. S. K. Tony Suryo Utomo, Mujammil Asdhiyoga Rahmanta and P. Paryanto
Energies 2026, 19(12), 2930; https://doi.org/10.3390/en19122930 (registering DOI) - 21 Jun 2026
Viewed by 86
Abstract
A short-term performance test of blended biodiesel (FAME), green diesel (HVO), and diesel was experimentally assessed in a 100 kW Cummins 6BTAA5.9-G12 diesel engine under multiple load conditions. The objective was to determine the technical feasibility, operational trade-offs, and optimal blend formulations for [...] Read more.
A short-term performance test of blended biodiesel (FAME), green diesel (HVO), and diesel was experimentally assessed in a 100 kW Cummins 6BTAA5.9-G12 diesel engine under multiple load conditions. The objective was to determine the technical feasibility, operational trade-offs, and optimal blend formulations for renewable energy deployment in diesel power plants. All tested blends operated stably without engine modification, confirming the “drop-in capability” of FAME–HVO mixtures for existing diesel engines. Specific fuel consumption (SFC) increased notably at high loads, with penalties up to 15.15% for B30D20 and B35D15 relative to neat diesel, although overall efficiency improved with load. Among the ternary fuels, B30D10 and B30D20 provided the most balanced compromise between combustion reactivity and flow properties. Exhaust gas temperatures rose with load for all fuels, with FAME-rich blends exhibiting higher temperatures than neat diesel, while coolant-side analysis showed D100 and D50 as thermally favorable and B50–B100 imposing the highest cooling demand. The results emphasize the need for injection system recalibration on an energy basis for HVO-rich fuels, and for strengthened filtration and maintenance practices for FAME-rich blends to avoid filter clogging and injection instability. Considering performance, operability, and system stability up to 100 kW, B30D10 and B35D15 are identified as optimal compromise blends. The study highlights the necessity of future work on long-term durability, fuel system compatibility, supply chain robustness, and techno-economic viability to safely scale green diesel use in Indonesian stationary power generation. Full article
(This article belongs to the Special Issue Advances in Combustion Science for Sustainable Energy Systems)
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18 pages, 6194 KB  
Article
Life Stage-Dependent Toxicity and Interactions of Scrubber-Related Metal Mixtures in Marine Zooplankton
by Esther Bautista-Chamizo, María Cabrera-Bayarri, Enrique Nebot and Javier Moreno-Andrés
Toxics 2026, 14(6), 530; https://doi.org/10.3390/toxics14060530 (registering DOI) - 19 Jun 2026
Viewed by 401
Abstract
The adoption of exhaust gas cleaning systems (scrubbers) in maritime transport generates a complex metal-laden washwater that may pose a noteworthy threat to marine ecosystems. This study assessed the acute toxic effects (LC50, 48 h) of four prevalent metals detected in [...] Read more.
The adoption of exhaust gas cleaning systems (scrubbers) in maritime transport generates a complex metal-laden washwater that may pose a noteworthy threat to marine ecosystems. This study assessed the acute toxic effects (LC50, 48 h) of four prevalent metals detected in scrubber washwater—vanadium (V), iron (Fe), nickel (Ni), and zinc (Zn)—both individually and as a realistic mixture. For this purpose, multiple life stages of Artemia franciscana (nauplii, juveniles, and adults) and the rotifer Brachionus plicatilis have been tested under laboratory conditions. All metals induced concentration-dependent toxicity, but sensitivities varied through life stages and species tested. The sensitivity to contaminants generally decreased as the organism’s developmental stage progressed. Consequently, three different orders of toxicity can be detected. The order of metal toxicity (from highest to lowest toxicity, based on 48 h LC50 values) was V > Fe > Ni > Zn for nauplii; V > Zn > Fe > Ni for juveniles and adults; and Fe > V > Zn > Ni for B. plicatilis. The Cumulative Toxic Unit (CTU) approach was utilized to compare the predicted additive effect with observed mixture toxicity. This analysis revealed a complex, life stage-dependent interaction; while antagonism dominated in nauplii (suggesting chemical mitigation), juveniles and adults of A. franciscana and the rotifer (B. plicatilis) exhibited significant synergism, amplifying the total toxicity beyond prediction. This study demonstrates that early life stages and small zooplankton are the most sensitive bioindicators of scrubber-related metal contamination, highlighting the potential ecological risk posed by metal-rich, acidic scrubber discharges that may enhance metal bioavailability and toxicity in marine environments. Full article
(This article belongs to the Section Ecotoxicology)
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22 pages, 13031 KB  
Article
Saturated Volume Fracturing Technology for Horizontal Well Groups in Coal Seam Roof and Application in the Huainan Mining Area
by Huazhong Ding, Shiliang Zhu, Lei Su, Haozhe Li, Jianjian Qi, Siqing Sun and Benliang Chen
Energies 2026, 19(12), 2903; https://doi.org/10.3390/en19122903 (registering DOI) - 18 Jun 2026
Viewed by 227
Abstract
The Huainan Mining Area features extensively developed, fragmented-soft and low-permeability coal seams, characterized by low porosity and permeability, complex geological structures, and significant difficulty in coalbed methane (CBM) drainage. Horizontal wells with staged fracturing in the coal seam roof have become a key [...] Read more.
The Huainan Mining Area features extensively developed, fragmented-soft and low-permeability coal seams, characterized by low porosity and permeability, complex geological structures, and significant difficulty in coalbed methane (CBM) drainage. Horizontal wells with staged fracturing in the coal seam roof have become a key method for regional gas control. To further enhance the volume fracturing stimulation effect and single-well gas production, this study targets the horizontal well group in the roof of the No. 8 coal seam in the Huainan Mining Area as the research object. A saturated volume fracturing technology for horizontal wells in the coal seam roof, centered on the concept of a high pump rate (18–20 m3/min) and a high proppant volume (>250 m3/stage), is proposed. This study investigates the fracture propagation mechanisms and fracturing parameter optimization of this technology, and conducts engineering application to verify its stimulation effect. Increasing the fracturing pump rate improves the proppant-carrying capacity of the fracturing fluid, successfully enabling high-rate and high-volume proppant placement. Optimization of the perforation parameters—12 holes per m per cluster and a cluster spacing of 15–25 m—utilizes high perforation friction and moderate stress interference to promote balanced initiation and propagation of multiple fractures within a stage. The optimized ‘saturated’ injection mode, with a single-stage fluid volume exceeding 2400 m3, a single-stage proppant volume exceeding 250 m3, and a maximum sand ratio exceeding 20%, combined with a multi-size proppant mixture, enables full propping of both main and branch fractures. Microseismic monitoring shows that the hydraulic fracture extension length increased by approximately 50% compared to conventional wells, significantly enlarging the stimulated reservoir volume (SRV). Saturated fracturing achieved stable gas production of 2000 to 3000 m3/d, with average production ramp-up rates of 21.47–26.40 m3/d (five times higher than the 5.34 m3/d of the conventional well), and the stable plateau period was notably extended from 36 days to over 150 days. The saturated volume fracturing technology proposed in this study provides an important reference for efficient CBM extraction and surface gas control in mining areas with similar geological conditions. Full article
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18 pages, 2821 KB  
Article
Mechanistic Insights into Polypropylene Microplastics Pyrolysis Toward Fuel-Range Hydrocarbons: A DFT Multi-Functional Study
by Joaquín Alejandro Hernández Fernández, Juan Carrascal and Jose Alfonso Prieto Palomo
Microplastics 2026, 5(2), 127; https://doi.org/10.3390/microplastics5020127 - 18 Jun 2026
Viewed by 119
Abstract
The pyrolysis of polypropylene (PP) microplastics offers a potential route to convert plastic waste into fuel-range hydrocarbon mixtures and chemical feedstocks. However, the elementary radical pathways underlying the formation of medium-chain hydrocarbon fragments remain insufficiently resolved. In this study, a representative isotactic PP [...] Read more.
The pyrolysis of polypropylene (PP) microplastics offers a potential route to convert plastic waste into fuel-range hydrocarbon mixtures and chemical feedstocks. However, the elementary radical pathways underlying the formation of medium-chain hydrocarbon fragments remain insufficiently resolved. In this study, a representative isotactic PP oligomer model (C45H92) was evaluated using a comparative density functional theory (DFT) framework. The main mechanistic analysis was based on M06-2X, ωB97X-D, and M11 calculations combined with the def2-TZVP basis set, whereas LANL2DZ was retained only as a lower-cost comparative level during reaction-pathway exploration. Thermochemical profiles were evaluated over a temperature range of 298–923 K. Three selected pathways involving mid-chain homolytic cleavage, intramolecular hydrogen transfer (backbiting), radical rearrangement, and β-scission were examined. Within the selected reaction set, Route 1 exhibited a comparatively more favorable thermochemical profile than Routes 2 and 3 and provided a mechanistically plausible sequence toward medium-chain hydrocarbon fragments. The −TΔS contribution strongly influenced the calculated Gibbs free-energy profiles because fragmentation increases the number of molecular species under the ideal-gas thermochemical approximation. Accordingly, the ΔG values were interpreted comparatively and were not treated as direct evidence of spontaneous fragmentation under condensed-phase pyrolysis conditions or as quantitative predictions of experimental product selectivity. Differences among the evaluated functionals further indicate that the relative description of radical intermediates and transition-state regions is method-dependent. These results provide a molecular-level framework for future studies integrating quantum-chemical calculations, microkinetic modeling, and experimental product characterization. Full article
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20 pages, 11614 KB  
Article
Source Attribution of Produced Methane During Shale Gas Recovery Under Stepwise Depressurization: A Molecular Dynamics Study
by Jiayan Chen, Jing Sun, Dehua Liu, Xu Yan, Jiawei Hu and Maolin He
Energies 2026, 19(12), 2885; https://doi.org/10.3390/en19122885 - 18 Jun 2026
Viewed by 184
Abstract
During depressurization-driven shale gas production, methane migration and state transformation in nanopores affect the source composition of produced gas. However, the relative contributions of initially free and initially adsorbed methane remain difficult to quantify at the molecular scale. In this study, we develop [...] Read more.
During depressurization-driven shale gas production, methane migration and state transformation in nanopores affect the source composition of produced gas. However, the relative contributions of initially free and initially adsorbed methane remain difficult to quantify at the molecular scale. In this study, we develop a Frame-0-based source-tracing framework for methane recovery in an idealized graphene square nanopore using molecular dynamics simulations under a stepwise depressurization protocol. Radical Voronoi local density and a two-component Gaussian mixture model are used to assign one-time initial labels to methane molecules at Frame 0. PID–preserving cross-frame tracking is then used to quantify the stage-wise and cumulative source contributions from the two initial populations. For the representative case of R = 10 nm and T = 353.15 K, the stage-wise fraction from the initially free population decreases from 79.5% to 62.2% as pressure decreases, while that from the initially adsorbed population increases from 20.5% to 37.8%. Increasing pore width mainly enhances total recovery through the contribution of initially free methane. Increasing temperature improves the contributions from both populations, with a stronger effect on initially free methane. The present results provide a molecular-scale quantitative characterization of methane initial-source attribution under the current stepwise depressurization protocol and establish a source-tracing framework that can be further extended to more realistic pore models. Full article
(This article belongs to the Topic Petroleum and Gas Engineering, 2nd edition)
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14 pages, 19433 KB  
Article
Neighborhood Width Transform: A Structural Stability Framework for Peak Selection in Noisy 1D Coherence Curves
by Sicheng Li and Zhaohui Ye
Mathematics 2026, 14(12), 2156; https://doi.org/10.3390/math14122156 - 16 Jun 2026
Viewed by 158
Abstract
Slowness extraction via Slowness Time Coherence (STC) serves as a fundamental technique for formation evaluation in oil and gas geophysics. Conventional amplitude-dependent peak selection methods often exhibit limitations in complex logging scenarios, including weak wave arrivals, high noise floors, and spurious local maxima. [...] Read more.
Slowness extraction via Slowness Time Coherence (STC) serves as a fundamental technique for formation evaluation in oil and gas geophysics. Conventional amplitude-dependent peak selection methods often exhibit limitations in complex logging scenarios, including weak wave arrivals, high noise floors, and spurious local maxima. To address these challenges, this paper proposes Neighborhood Width Transform (NWT), an unsupervised data-driven mathematical framework that distinguishes genuine peaks from noise by quantifying local neighborhood structural stability rather than relying on amplitude magnitude. The core of NWT lies in a bilateral neighborhood width metric and a minimum-pooling fusion strategy, which suppresses narrow pseudo-peaks effectively. Experimental validation demonstrates that the proposed method outperforms seven representative peak-selection baseline methods (CWT Ridge Analysis, Gaussian Mixture Fitting, AMPD, SG Derivative Crossing, NMS, Random Forest, and 1D-Unet) in terms of detection reliability and accuracy on the tested challenging logging datasets. The proposed method provides an interpretable, high-throughput mathematical solution for automated geophysical signal processing. Full article
(This article belongs to the Section E: Applied Mathematics)
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20 pages, 2566 KB  
Article
Diode-Laser-Based Raman Spectroscopy Applied to the Thermodynamic Characterization of Natural Gas and Hydrogen-Enriched Natural Gas
by Fabio Melison, Lorenzo Cocola, Elena Meneghin, Riccardo Danese, Daniele Rossi and Luca Poletto
Sensors 2026, 26(12), 3820; https://doi.org/10.3390/s26123820 - 16 Jun 2026
Viewed by 292
Abstract
Natural gas transportation and distribution networks are becoming increasingly heterogeneous due to the injection of biomethane, regasified LNG, and hydrogen-enriched natural gas, requiring distributed and continuous gas-quality monitoring. This work presents an industrial Raman-based instrument for in-line measurement of natural gas and hydrogen-enriched [...] Read more.
Natural gas transportation and distribution networks are becoming increasingly heterogeneous due to the injection of biomethane, regasified LNG, and hydrogen-enriched natural gas, requiring distributed and continuous gas-quality monitoring. This work presents an industrial Raman-based instrument for in-line measurement of natural gas and hydrogen-enriched natural gas composition and related thermodynamic properties. The system employs a 450 nm broadband laser diode, a high-throughput custom spectrometer, and a pressure-rated gas cell integrated in an ATEX-certified enclosure. Gas composition is retrieved through calibration spectra and non-linear least-squares fitting, while higher heating value is calculated according to ISO 6976. The instrument was validated over pressures from 1.5 to 17 bara and temperatures from −20 °C to 55 °C using certified representative gas mixtures. The system achieved compliance with OIML R 140 Class A requirements, with HHV errors below ±0.5% and repeatability within 0.1%, while operating without carrier gases or sample manipulation. Long-term field operations in pressure-reduction stations confirmed stable performance over twelve months. The results demonstrate that Raman spectroscopy can provide a robust, low-maintenance solution for continuous natural-gas-quality monitoring and controlled hydrogen-blending applications. Full article
(This article belongs to the Special Issue Optical Sensors for Gas Monitoring)
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32 pages, 8370 KB  
Article
Numerical Investigation of the Joule–Thomson Effect in Hydrogen-Enriched Natural Gas Based on Environmental Parameters and Hydrogen Blending Ratios
by Zile Jia, Zixuan Wang, Meng Zhao, Pan Sun, Yifei Wang and Jiayuan Tian
Energies 2026, 19(12), 2841; https://doi.org/10.3390/en19122841 - 15 Jun 2026
Viewed by 238
Abstract
Gas blending with hydrogen represents a core research direction for present and future energy transport systems. The throttling of natural gas and hydrogen mixtures through pressure-regulating valves inevitably induces thermodynamic temperature variations. Theoretical analyses and simulated thermal profiles demonstrate that hydrogen blending effectively [...] Read more.
Gas blending with hydrogen represents a core research direction for present and future energy transport systems. The throttling of natural gas and hydrogen mixtures through pressure-regulating valves inevitably induces thermodynamic temperature variations. Theoretical analyses and simulated thermal profiles demonstrate that hydrogen blending effectively counteracts the extreme expansion temperature drop post-throttling. This thermodynamic shift alleviates the localized microclimatic thermal conditions favorable to ice-plugging, validating the feasibility of hydrogen injection as a systematic thermal mitigation strategy for high-pressure pipeline networks. This study utilizes computational fluid dynamics software to model the flow field variations in pure hydrogen and gas–hydrogen mixtures under the influence of pressure-regulating valves. Employing a real gas equation of state across varying operational temperatures and pressure conditions, this research calculates and analyzes the flow field variations driven by the Joule–Thomson effect for pure hydrogen and mixtures with varying hydrogen blending ratios. The objective is to inform temperature regulation strategies for long-distance hydrogen–natural gas pipeline networks and to establish an empirical temperature fitting relationship for pure hydrogen. The numerical evaluation indicates a maximum relative error of 6.02% and a maximum absolute error of 0.06877 K. Furthermore, guided by the localized temperature variation patterns, the temperature rise results from 75 pure hydrogen simulation cases were extracted. A Multilayer Perceptron artificial intelligence algorithm was utilized to perform inverse calculation iterations on the thermal data and regulation results. Through the stochastic selection of initial parameters and repeated training iterations referencing the fitting formula, an optimized regulation sequence was obtained. This process drives the fluid temperature to approach the practical regulation target. Following the network training phase, the maximum absolute error between the calculated temperature regulation result and the target regulation temperature is recorded at 0.0556 K, providing a methodological reference for subsequent high-pressure hydrogen applications. Full article
(This article belongs to the Section A5: Hydrogen Energy)
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