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Search Results (4,914)

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Keywords = A3-coupling reactions

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48 pages, 6152 KB  
Review
Emerging Plasmonic Nanomaterials for SERS-Based Disease Diagnostics: Innovations, Clinical Challenges, and AI Integration
by Rabeea Razaq, Arslan Younas, Muhammad Azam Qamar, Ahmad Farhan, Aman Khalid, Amna Akhtar, Muntaha Anwar, Tania Shad, Zulfiqar Ahmad Rehan and Syed Imran Hassan
Molecules 2026, 31(13), 2225; https://doi.org/10.3390/molecules31132225 (registering DOI) - 24 Jun 2026
Abstract
Surface-enhanced Raman spectroscopy (SERS) has emerged as a transformative tool in biomedical diagnostics, offering a highly sensitive and non-invasive method for detecting molecular biomarkers at exceptionally low concentrations. This approach takes advantage of the plasmonic characteristics of customized metallic nanostructures that produce intense [...] Read more.
Surface-enhanced Raman spectroscopy (SERS) has emerged as a transformative tool in biomedical diagnostics, offering a highly sensitive and non-invasive method for detecting molecular biomarkers at exceptionally low concentrations. This approach takes advantage of the plasmonic characteristics of customized metallic nanostructures that produce intense localized electromagnetic fields via localized surface plasmon resonance and facilitate electron transfer reactions that notoriously enhance the intrinsically weak Raman scattering signals of molecular entities which reside on or next to their surfaces. SERS-based assays have shown remarkable potential in detecting cancer biomarkers, circulating tumor DNA (ctDNA), and proteins at early stages, enabling timely and targeted intervention. Additionally, the combination of SERS with AI-driven data analysis has facilitated real-time diagnostics, enhancing the precision and efficiency of point-of-care testing. Despite its promising capabilities, challenges such as substrate fouling, signal degradation, and the need for better biocompatibility remain. Nevertheless, ongoing research in substrate development, coupled with advances in AI, positions SERS as a leading technology for future diagnostic tools. This paper explores the current state of SERS in biomedical applications, highlighting its potential to revolutionize diagnostics and personalized medicine while addressing the existing limitations and future research directions. Full article
22 pages, 5783 KB  
Article
Study on the Carbonation Behavior of Steel Slag in the SiC-K2SiO3 System Assisted by Microwave Heating
by Wei Long, Wenxiao Fu and Wenming Jiang
Materials 2026, 19(13), 2701; https://doi.org/10.3390/ma19132701 (registering DOI) - 23 Jun 2026
Abstract
The steel industry is currently grappling with the dual environmental challenges of massive steel slag accumulation and carbon emissions. To address the limitations of traditional carbonation processes—namely slow reaction kinetics and insufficient mechanical properties—this study proposes a novel rapid carbonation enhancement method coupling [...] Read more.
The steel industry is currently grappling with the dual environmental challenges of massive steel slag accumulation and carbon emissions. To address the limitations of traditional carbonation processes—namely slow reaction kinetics and insufficient mechanical properties—this study proposes a novel rapid carbonation enhancement method coupling microwave thermal field intensification, silicon carbide (SiC) physical absorption, and potassium silicate chemical activation. The effects of microwave heating parameters on the performance of carbonated steel slag blocks were systematically investigated. The results indicate a significant synergistic effect between the microwave thermal effect and the alkali-activated system. Under the conditions of a 0.14 liquid-to-solid ratio and microwave heating at 90 °C for 45 min, the compressive strength reached a peak of 48.82 MPa (a 44.7% increase over the conventional treatment group). Microstructural characterization revealed the reinforcement mechanism: the introduction of SiC and potassium silicate solution (K2SiO3) under microwave heating promotes a denser distribution of carbonation products. Synchronized with alkali activation, this effect promotes the in-situ growth of dense calcite crystals within a gel network, thereby significantly optimizing the pore structure (e.g., reducing the average pore size to 43 nm), and enhancing strength through synergistic effects. This research is subject to further energy and life-cycle assessments, and this approach holds potential for CO2 mineralization and the recycling of steel slag. Full article
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31 pages, 4697 KB  
Review
Environmental Aging Mechanisms and Their Impact on the Mechanical Performance of Fiber-Reinforced Polymer Composites: A Comprehensive Review
by Tengwen Feng, Run Wang, Bing Du, Hanlin Ran, Yun Bai, Jingwei Liu and Feifei Fang
Coatings 2026, 16(6), 742; https://doi.org/10.3390/coatings16060742 (registering DOI) - 22 Jun 2026
Viewed by 222
Abstract
Fiber-reinforced polymer (FRP) composites are extensively used in aerospace, civil engineering, and defense applications because of their low density, high specific strength, corrosion resistance, and structural design flexibility. However, prolonged exposure to hygrothermal conditions, ultraviolet (UV) radiation, and thermo-oxidative environments can progressively damage [...] Read more.
Fiber-reinforced polymer (FRP) composites are extensively used in aerospace, civil engineering, and defense applications because of their low density, high specific strength, corrosion resistance, and structural design flexibility. However, prolonged exposure to hygrothermal conditions, ultraviolet (UV) radiation, and thermo-oxidative environments can progressively damage these materials, leading to mechanical degradation and shortened service life. This review examines environmental aging in FRP composites at the levels of the polymer matrix, fiber/matrix interface, and reinforcing fibers. Representative predictive models, finite element methods, and experimental characterization techniques are summarized, together with the evolution of mechanical properties under different aging conditions. Hygrothermal degradation is mainly associated with moisture diffusion, matrix swelling, and interfacial debonding, whereas UV and thermo-oxidative aging are largely governed by photo-oxidation and thermally activated free-radical reactions. These processes may induce chain scission, crosslinking, matrix embrittlement, and interface damage. Under coupled environmental exposure, degradation is not simply additive because moisture transport, oxidation kinetics, and failure pathways may interact. Future research should emphasize multiscale characterization, anti-aging modification, interface engineering, protective coatings, and reliability-oriented lifetime prediction. Full article
(This article belongs to the Special Issue Mechanical, Wear, and Functional Properties of Composite Coatings)
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32 pages, 2308 KB  
Article
A Dynamical Model of Light Halo Nuclei
by Francisco Barranco, Gregory Potel and Enrico Vigezzi
Particles 2026, 9(2), 66; https://doi.org/10.3390/particles9020066 (registering DOI) - 22 Jun 2026
Viewed by 196
Abstract
We present a review of theoretical studies of the structure and reactions of N = 7 and N = 8 nuclei in the vicinity of 11Li, carried out within a framework based on Nuclear Field Theory. The coupling of valence nucleons to [...] Read more.
We present a review of theoretical studies of the structure and reactions of N = 7 and N = 8 nuclei in the vicinity of 11Li, carried out within a framework based on Nuclear Field Theory. The coupling of valence nucleons to low-lying surface vibrations of the spherical core plays a central role, giving rise to self-energy processes that renormalize single-particle states and transfer form factors, as well as to an induced pairing interaction arising from the exchange of collective vibrations, which renormalizes the bare pairing force. Excitation spectra and cross sections for one- and two-nucleon transfer reactions populating states in the quasi-continuum are calculated and compared with available experimental data. Collective excitations in the particle-particle channel are investigated, with particular emphasis on Giant Pairing Vibrations and on their damping mechanisms arising from coupling to more complex configurations and continuum states. Comparisons with other theoretical schemes are also presented. We conclude that a coherent understanding of experimental data requires the detailed consideration of particle-vibration coupling effects. Full article
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19 pages, 720 KB  
Article
The Association of G Protein-Coupled Estrogen Receptor (GPER) Polymorphisms with Ionizing Radiation Exposure in Healthcare Workers
by Ünal Öztürk, Ergül Belge Kurutaş, Nuray Üremiş, Muhammed Mehdi Üremiş and Fatma Nur Özkömeç
J. Clin. Med. 2026, 15(12), 4821; https://doi.org/10.3390/jcm15124821 (registering DOI) - 21 Jun 2026
Viewed by 163
Abstract
Background/Objectives: The G protein-coupled estrogen receptor (GPER) is known to interact with cellular stress responses and DNA damage pathways. Therefore, exposure to ionizing radiation may modulate the biological consequences of single-nucleotide polymorphisms in the GPR30 gene. This study aims to evaluate the association [...] Read more.
Background/Objectives: The G protein-coupled estrogen receptor (GPER) is known to interact with cellular stress responses and DNA damage pathways. Therefore, exposure to ionizing radiation may modulate the biological consequences of single-nucleotide polymorphisms in the GPR30 gene. This study aims to evaluate the association between GPER polymorphisms and radiation sensitivity. Methods: The study included 50 healthcare workers exposed to ionizing radiation and 36 healthy individuals with no known occupational exposure to radiation. Genomic DNA was isolated and PCR products were purified using GeneAll kits. Genomic regions encompassing three GPER single-nucleotide polymorphisms (rs3808350, rs3808351, and rs11544331) were amplified by polymerase chain reaction (PCR), followed by DNA sequencing analysis using the BigDye Cycle Sequencing Kit. In addition, an in silico functional and clinical annotation of rs11544331 was performed using Ensembl VEP, SIFT, PolyPhen-2, AlphaMissense, CADD, UniProt, and ClinVar. Results: Genotypic, dominant, and allelic analyses revealed no significant association between radiation exposure and the rs3808350 or rs3808351 polymorphisms. In contrast, a statistically significant association was observed for rs11544331. The frequency of individuals carrying the CT and TT genotypes (CT + TT) was significantly higher in the ionizing radiation-exposed group compared with the control group (OR = 2.981; 95% CI: 1.106–7.904; p = 0.0241). In allelic analysis, the T allele was more prevalent in the exposed group and was significantly associated with radiation exposure (OR = 2.959; 95% CI: 1.282–6.606; p = 0.0110). In silico analysis confirmed that rs11544331 corresponds to the p.Pro16Leu substitution in GPER1; however, SIFT, PolyPhen-2, AlphaMissense, CADD, and ClinVar consistently indicated a tolerated, benign, likely benign, or low-deleteriousness profile. Conclusions: GPER-mediated stress responses and genetic polymorphisms may play a potential role in determining genetic susceptibility following exposure to ionizing radiation. Full article
(This article belongs to the Section Clinical Guidelines)
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35 pages, 21301 KB  
Article
Design of a Multi-Ion Detection System Based on IoT Technology and Its Application in Cement-Based Materials
by Yudong Sun, Zijing Zhang, Yixuan Li, Shaoyang Ding, Hanbo Chen, Zhengeng Xu, Yuejing Li, Xincheng Li, Dafu Wang and Jun Ren
Sensors 2026, 26(12), 3933; https://doi.org/10.3390/s26123933 (registering DOI) - 20 Jun 2026
Viewed by 272
Abstract
Simultaneous multi-ion detection is important for interpreting leaching, corrosion, hydration, and solidification processes in cement-based materials, because these processes are controlled by coupled ion migration, binding, and precipitation–dissolution reactions. Conventional methods such as pore-solution extraction, ion chromatography, inductively coupled plasma optical emission spectroscopy, [...] Read more.
Simultaneous multi-ion detection is important for interpreting leaching, corrosion, hydration, and solidification processes in cement-based materials, because these processes are controlled by coupled ion migration, binding, and precipitation–dissolution reactions. Conventional methods such as pore-solution extraction, ion chromatography, inductively coupled plasma optical emission spectroscopy, and single-ion potentiometric measurements provide useful chemical information, but they generally rely on discrete sampling or isolated ion channels and therefore have limited ability to capture time-aligned multi-ion evolution. In this study, an IoT-based in situ multi-ion detection system was developed by integrating ion-selective electrodes for Cl, Ca2+, F, and H+ with an ADS1115 analog-to-digital converter, an ESP32 microcontroller, and a voltage amplification module. The system achieved minimum resolvable concentrations of 10−5 M for Cl and F and 10−4 M for Ca2+, while maintaining pH measurement over the range of 2–12. Ten consecutive measurements at 0.01 M showed relative standard deviations below 0.12%, indicating good short-term repeatability under laboratory calibration conditions. Interference and temperature tests showed that Br and NO3 affected the chloride channel at high concentrations, Ca2+ reduced free F activity through Ca–F precipitation equilibrium, and the temperature drift of Cl and F electrodes changed direction with concentration, whereas the Ca2+ response decreased monotonically with increasing temperature. When applied to phosphogypsum–cement hardened pastes, the system captured rapid Ca2+ release, low-level F fluctuation controlled by Ca–F interaction, non-monotonic Cl release, and alkaline pH evolution on the same time axis. Compared with existing single-ion or offline methods, the proposed system provides synchronized in situ evidence for interpreting coupled ion leaching in cement-based solid-waste systems. Full article
(This article belongs to the Section Internet of Things)
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9 pages, 453 KB  
Review
A Review on Numerical Simulation and Modeling Techniques in Blast Furnace Ironmaking
by Shanchao Gao, Xu Geng, Xiaobo Zhang, Zhe Jiang, Zhenghong Zhao and Yanhui Zhang
Processes 2026, 14(12), 2014; https://doi.org/10.3390/pr14122014 (registering DOI) - 20 Jun 2026
Viewed by 174
Abstract
Blast furnace (BF) ironmaking is a complex multiphase process involving gas–solid flow, heat transfer, chemical reactions, burden movement, and phase transformation under high-temperature conditions. Since many internal states of the blast furnace cannot be directly observed during operation, numerical simulation and mathematical modeling [...] Read more.
Blast furnace (BF) ironmaking is a complex multiphase process involving gas–solid flow, heat transfer, chemical reactions, burden movement, and phase transformation under high-temperature conditions. Since many internal states of the blast furnace cannot be directly observed during operation, numerical simulation and mathematical modeling have become important tools for understanding furnace behavior and optimizing operational parameters. This paper reviews recent advances in blast furnace numerical simulation and internal state reconstruction methods. Existing approaches, including packed-bed flow models, cohesive zone reconstruction methods, burden distribution models, and temperature field prediction methods, are summarized and discussed. In addition, the evolution of blast furnace mathematical models from early one-dimensional steady-state formulations to modern three-dimensional multifluid and hybrid simulation approaches is reviewed. Recent developments in computational fluid dynamics (CFD), the discrete element method (DEM), digital twin, and data-driven modeling are also discussed. Compared with traditional simplified models, modern multidimensional and hybrid approaches show improved capability in describing asymmetric furnace inner states, multiphase transport behavior, and operational parameter effects under industrial conditions. However, challenges still remain in achieving computational efficiency, parameter calibration, multiphase coupling, and real-time industrial application. Future studies are expected to focus on the integration of mechanism-based simulation and intelligent data-driven methods to improve prediction accuracy, operational adaptability, and intelligent control capability in blast furnace ironmaking. Full article
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20 pages, 10688 KB  
Article
A Study on the Thermal Behaviour of Micron-Sized Aluminium Powder in Contact with Water
by Xiaoliang Zhang, Haidan Cao, Jiawei Fang, Jun Zhang and Lingyun Wang
Processes 2026, 14(12), 2007; https://doi.org/10.3390/pr14122007 (registering DOI) - 20 Jun 2026
Viewed by 174
Abstract
Aluminium powder, an energetic material, is prone to thermal runaway upon water exposure under local heat sources, yet the nonadiabatic mechanisms of micron-sized accumulated aluminium powder under localised heating remain unclear. This study employs a proprietary characterisation platform to investigate the effects of [...] Read more.
Aluminium powder, an energetic material, is prone to thermal runaway upon water exposure under local heat sources, yet the nonadiabatic mechanisms of micron-sized accumulated aluminium powder under localised heating remain unclear. This study employs a proprietary characterisation platform to investigate the effects of particle size, water content, and local heat source power on heat transfer in the dry state and on parameters including induction time, onset temperature, peak heat release rate, and reaction heat during the induction and main reaction phases. In the dry state, decreasing particle size enhances effective thermal conductivity and accelerates temperature rise, whereas elevated local heat source power exacerbates thermal inertia. Under local heating upon water exposure, reduced particle size significantly enhances reactivity; the reaction heat of 2 μm powder reaches 983 J/g, approximately fourfold that of 106 μm powder. Water content exhibits a nonmonotonic effect, with the onset temperature reaching a minimum of 66.4 °C at a water content of 25%, while the reaction heat peaks at 33% water content. Interestingly, increasing local heat source power was found to suppress reaction intensity, and reaction heat at 10 W is one sixth of that at 2.5 W, attributed to rapid product layer densification and the possible steam-film barrier effect shifting the controlling mechanism from chemical to diffusion control. A coupled multifactorial predictive model incorporating the three factors was established with a correlation coefficient R2 of 0.92, providing a theoretical basis and practical guidance for hazard assessment and safe storage of aluminium powder. Full article
(This article belongs to the Section Chemical Processes and Systems)
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22 pages, 32128 KB  
Article
Atomistic Mechanisms of Silicone Rubber Degradation Under Coupled Temperature–Humidity–Electric Field Conditions
by Yiheng Zhou, Zhijun An, Yixin He, Cong Qian, Qiuhua Zhou, Wentian Zeng, Xinhan Qiao and Wenyu Ye
Polymers 2026, 18(12), 1530; https://doi.org/10.3390/polym18121530 (registering DOI) - 19 Jun 2026
Viewed by 283
Abstract
Silicone rubber is an important external insulating material for composite bushings, composite insulators, and other power equipment. During long-term service, it is inevitably exposed to coupled environmental and electrical stresses, such as elevated temperature, moisture ingress, strong electric fields, and partial discharge, which [...] Read more.
Silicone rubber is an important external insulating material for composite bushings, composite insulators, and other power equipment. During long-term service, it is inevitably exposed to coupled environmental and electrical stresses, such as elevated temperature, moisture ingress, strong electric fields, and partial discharge, which may lead to hydrophobicity loss, surface chalking, crack propagation, and particle shedding. To reveal the microscopic degradation mechanism of silicone rubber under complex operating conditions, a molecular model of methyl vinyl silicone rubber was constructed using Materials Studio. A stable silicone rubber molecular structure was obtained through crosslinking, geometry optimization, and ensemble relaxation. Subsequently, a reactive molecular dynamics simulation system under coupled temperature–humidity–electric field conditions was established using LAMMPS and the ReaxFF reactive force field. Different temperature gradients, electric field intensities, and aging–recovery stages were designed to investigate the degradation behavior of silicone rubber. The evolution of the maximum carbon content, maximum silicon content, carbon-containing decomposition products, and typical small-molecule products, including H2, H2O, CH4, C2H2, C2H4, and C2H6, was statistically analyzed. In addition, atomic trajectory tracking was performed to clarify the processes of methyl group detachment, Si-O bond cleavage, water molecule participation, and molecular chain reconstruction. The results show that high temperature mainly promotes methyl group detachment from side chains and fracture of the siloxane main chain, while a strong electric field accelerates the decomposition process and induces the transformation of long siloxane chains into shorter chains. Water molecules can react with broken siloxane chains to form hydroxyl-containing structures, making the structural degradation partially irreversible. The degradation process of silicone rubber under coupled temperature–humidity–electric field stress can be summarized as side-chain detachment, main-chain scission, water-assisted reactions, free-radical recombination, and local molecular aggregation. This study provides a molecular-level theoretical basis for aging mechanism analysis, condition assessment, and lifetime prediction of composite external insulating materials. Full article
(This article belongs to the Section Polymer Analysis and Characterization)
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30 pages, 7779 KB  
Article
Durability and Multi-Scale Deterioration Mechanism of Cast-In Situ Iron Ore Tailings Concrete Under Complex Multi-Ion Corrosion
by Cheng Wang, Zhilong Chen, Gaowen Zhao, Long Chen, Lingxuan Yue, Gang Gu, Jianfeng Zhu, Henghui Fan and Zhibao Nie
Buildings 2026, 16(12), 2436; https://doi.org/10.3390/buildings16122436 - 18 Jun 2026
Viewed by 138
Abstract
To investigate the corrosion resistance and deterioration mechanism of cast-in situ concrete incorporating iron ore tailings aggregate (IOT), specimens with IOT replacement ratios of 0%, 30%, and 50% were exposed to distilled water, endogenous Cl-SO42− corrosion, exogenous Mg2+ [...] Read more.
To investigate the corrosion resistance and deterioration mechanism of cast-in situ concrete incorporating iron ore tailings aggregate (IOT), specimens with IOT replacement ratios of 0%, 30%, and 50% were exposed to distilled water, endogenous Cl-SO42− corrosion, exogenous Mg2+-SO42− corrosion, and endogenous-exogenous coupled corrosion. The evolution of mass, size, compressive strength, and flexural strength was evaluated, while Nuclear Magnetic Resonance (NMR), Scanning Electron Microscope-Energy Dispersive Spectroscopy (SEM-EDS), X-ray Diffraction (XRD), and Thermogravimetric Analysis/Derivative Thermogravimetry (TG/DTG) were used to characterize pore structure and phase transformation. Results show that distilled water causes limited variation, whereas exogenous and coupled corrosion accelerate product accumulation, size expansion, pore coarsening, and strength degradation. Under exogenous Mg2+-SO42− corrosion, the peak compressive strengths of specimens with 0%, 30%, and 50% IOT reach 43.30 MPa, 45.60 MPa, and 46.93 MPa, respectively, with the 50% IOT specimen showing an 8.38% increase compared with the specimen without IOT. TG/DTG results show that the Ca(OH)2 related mass loss decreases from 5.42% under distilled water immersion to 4.37% under exogenous Mg2+-SO42− corrosion, confirming calcium consumption during sulfate–magnesium attack. Microstructural characterization reveals that sulfate reaction, chloride binding, and Mg2+-induced decalcification jointly promote the formation of gypsum, ettringite, Friedel’s salt, magnesium silicate hydrate (M-S-H), and magnesium-associated corrosion products. Overall, 30% IOT provides better pore refinement and mechanical stability under endogenous and exogenous corrosion, whereas 50% IOT improves residual skeleton support under coupled corrosion. These findings provide guidance for durability design and sustainable utilization of IOT aggregate in cast-in situ concrete. Full article
(This article belongs to the Section Building Materials, and Repair & Renovation)
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25 pages, 8873 KB  
Article
Direct Numerical Simulation of a Lean Premixed NH3/H2/N2/Air Jet in Crossflow at Micro-Gas Turbine Relevant Conditions
by Donato Cecere, Matteo Cimini and Eugenio Giacomazzi
Energies 2026, 19(12), 2896; https://doi.org/10.3390/en19122896 (registering DOI) - 18 Jun 2026
Viewed by 115
Abstract
In this work, Direct Numerical Simulation (DNS) investigates the combustion behaviour of a reactive transverse lean premixed jet of an ammonia blend (10% NH3, 11% H2, 16% O2 and 63% N2 by volume) injected through a rectangular [...] Read more.
In this work, Direct Numerical Simulation (DNS) investigates the combustion behaviour of a reactive transverse lean premixed jet of an ammonia blend (10% NH3, 11% H2, 16% O2 and 63% N2 by volume) injected through a rectangular nozzle in a pre-heated non-vitiated air crossflow at a pressure of 5 bar. The configuration has been chosen from a Reynolds-Averaged Navier–Stokes (RANS) test campaign to ensure low NO and low unburned fuel, while maintaining a high temperature profile at the turbine inlet. The DNS shows that the flame stabilises on the leeward side of the rectangular jet, within and downstream of the recirculation region, while high scalar dissipation and short residence times prevent persistent anchoring on the windward side. Joint statistics reveal that the reaction does not follow a constant equivalence ratio path, since intermediate progress states are shifted towards leaner mixtures by entrainment, dilution and differential diffusion. The strongest heat-release and displacement-speed events occur in localised regions where mixture state, stretch and flame-front geometry act jointly. The displacement-speed budget is mainly controlled by the chemical source term, with diffusion reducing the net propagation speed and stratification-induced cross terms remaining small. Under intense stretch, positively curved flame elements exhibit larger displacement speeds, indicating a coupled effect of curvature, preferential diffusion and local radical transport. NO formation is dominated by fuel-nitrogen chemistry: HNO and NH2 are the main NO-producing routes, whereas N2 and N2O provide the dominant NO-sink channels. The DNS predicts an outlet-averaged NO level of 400 dppm, while extended-domain RANS calculations indicate that longer residence times could reduce it below 100 dppm. Full article
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40 pages, 14798 KB  
Review
From Capture to Conversion: Advances and Challenges in Integrated CO2 Capture and Utilization for Industrial Decarbonization
by Peng Bian, Qinchen Meng, Xianyin Yu, Jinou Han, Zhichen Zeng and Xudong Wang
Separations 2026, 13(6), 179; https://doi.org/10.3390/separations13060179 - 18 Jun 2026
Viewed by 306
Abstract
Amid growing pressure to reduce carbon emissions, carbon capture, utilization, and storage (CCUS) has become an important pathway toward deep decarbonization. However, the conventional separated “capture–release–conversion” process suffers from high energy consumption and system complexity, which severely limits its large-scale application. Integrated CO [...] Read more.
Amid growing pressure to reduce carbon emissions, carbon capture, utilization, and storage (CCUS) has become an important pathway toward deep decarbonization. However, the conventional separated “capture–release–conversion” process suffers from high energy consumption and system complexity, which severely limits its large-scale application. Integrated CO2 Capture and Utilization (ICCU), which enables the capture, activation, and conversion of CO2 within a single system, has attracted widespread attention because it can effectively reduce intermediate energy-intensive steps and improve carbon utilization efficiency. This review systematically summarizes recent progress in ICCU technology, with particular emphasis on reaction mechanisms and interfacial coupling characteristics. The performance features of solvent-based chemical absorption and solid-sorbent adsorption, two widely studied capture routes, are summarized, and typical integrated conversion pathways, including reverse water–gas shift, methanation, and dry reforming of methane, are discussed. On this basis, the roles of non-conventional energy-assisted strategies, such as photocatalysis, electrocatalysis, non-thermal plasma, and microwave irradiation, in expanding ICCU systems are further examined, together with their system-level coupling potential in carbon-intensive industries such as steel, cement, and power generation. Finally, the key scientific issues and engineering challenges currently facing ICCU are analyzed from the perspectives of fundamental mechanisms, material design, and system engineering, and future development directions are proposed. This review highlights that elucidating multiscale synergistic mechanisms, developing high-performance dual-function materials, and optimizing system integration are crucial to promoting the industrial application of ICCU technology. Full article
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18 pages, 899 KB  
Review
Influence of Temperature and Pressure on Hydrocarbon Generation During Oil Shale In Situ Conversion (ICP)
by Xuhuan Lian, Lianhua Hou, Xiaonan Ding, Ruyu Wang and Mengyao Zhang
Energies 2026, 19(12), 2881; https://doi.org/10.3390/en19122881 - 18 Jun 2026
Viewed by 208
Abstract
Temperature and pressure are critical controlling parameters in the in situ conversion process (ICP) of oil shale. Clarifying the mechanisms governing organic matter pyrolysis is essential for reliably extrapolating laboratory findings to geological conditions. This review systematically summarizes the effects of temperature and [...] Read more.
Temperature and pressure are critical controlling parameters in the in situ conversion process (ICP) of oil shale. Clarifying the mechanisms governing organic matter pyrolysis is essential for reliably extrapolating laboratory findings to geological conditions. This review systematically summarizes the effects of temperature and pressure on shale pyrolysis and on hydrocarbon generation kinetics. Temperature is the primary factor controlling pyrolysis rates and product distribution, with an optimal temperature window enhancing shale oil yield while suppressing secondary cracking. Low heating rates favor thorough pyrolysis, although their influence on reaction pathways is generally overlooked in current kinetic models. Pressure effects are stage-dependent: during organic matter conversion, they are minor, whereas, in the product expulsion stage, high pressure inhibits hydrocarbon expulsion, prolongs residence time, and promotes secondary cracking, thereby reducing overall oil yield while increasing light fractions. Discrepancies in reported pressure effects arise from variations in experimental systems, sample forms, and medium conditions. The coupling of temperature and pressure is synergistic rather than additive. Given that current kinetic models largely neglect pressure and heating-rate effects, and that temperature–pressure coupling mechanisms remain unclear, future research should focus on thermal simulation experiments across wide ranges of pressures and heating rates, complemented by ReaxFF molecular dynamics to elucidate reaction pathways and guide kinetic model development. Further in situ experiments under high-temperature and high-pressure conditions are needed to characterize coupled pore evolution and fluid migration. Ultimately, integrated thermo-hydro-mechanical-chemical (THMC) models should be developed to capture hydrocarbon generation, retention, and expulsion, providing a robust theoretical framework for optimizing ICP technology. Full article
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14 pages, 1219 KB  
Article
Effects of Mineral Composition and TOC Content of Coal Gangue on CO2 Adsorption Capacity
by Bo Gao, Deliang Fu, Kangning Zhang, Dan He, Xiang Gao, Sida Zhang and Zixiang Wang
Processes 2026, 14(12), 1975; https://doi.org/10.3390/pr14121975 - 18 Jun 2026
Viewed by 176
Abstract
Backfilling the industrial solid waste coal gangue into deep coal mine goafs for CO2 geological sequestration is a crucial pathway to achieve the synergistic effect of pollution reduction and carbon mitigation. However, in complex deep geological environments, the chemical evolution of multiple [...] Read more.
Backfilling the industrial solid waste coal gangue into deep coal mine goafs for CO2 geological sequestration is a crucial pathway to achieve the synergistic effect of pollution reduction and carbon mitigation. However, in complex deep geological environments, the chemical evolution of multiple mineral phases of coal gangue under gas–water–rock coupling effects and the carbon-controlling mechanism of residual total organic carbon (TOC) remain unclear. In this study, coal gangue from the goaf of the Xiaobaodang Coal Mine was used as the research object. Relying on a customized high-temperature and high-pressure reaction system to simulate the deep in situ environment (45 °C, 10 MPa), and combined with X-ray diffraction (XRD), total organic carbon determination, and isothermal CO2 adsorption experiments, the geochemical mechanism by which inorganic minerals and organic residual carbon synergistically control the ultimate CO2 adsorption potential was systematically revealed. The results show that the modification of the CO2 adsorption potential of coal gangue by gas–water–rock reactions exhibits strong mineral phase differentiation. Systems rich in active silicates generate a large amount of secondary clay minerals through intense carbonation alteration, achieving a significant increase in micro–nano pores and absolute adsorption capacity. Systems rich in carbonates steadily release deep primary adsorption potential by widening mass transfer channels through mineral dissolution. In contrast, systems rich in primary clay minerals face an irreversible attenuation of adsorption space due to physical clogging of pore throats caused by fluid migration. Furthermore, the initial organic carbon content exerts a significant non-linear regulatory effect on the development of the micropore network. The physical adsorption sites provided by the high relative content of layered clay minerals (>41%), coupled with the interfacial enhancement effect exerted by a moderate organic carbon content (0.12~0.16%), constitute an optimal physicochemical synergistic enhancement network, which is the core geological reason for stimulating the ultimate carbon sequestration capacity of coal gangue. The results of this study not only enrich the multiphase interfacial thermodynamic theory of complex heterogeneous geological bodies but also provide solid theoretical support for the precise optimization of target areas and the long-term evaluation of carbon sinks in goaf CO2 sequestration engineering. Full article
(This article belongs to the Section Petroleum and Low-Carbon Energy Process Engineering)
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22 pages, 2685 KB  
Article
A Digital Twin-Based Framework for Biomechanical Ergonomics Assessment in Human–Robot Collaboration
by Jörg Miehling, Matthias Guertler, Marc Carmichael, Richardo Khonasty, Louis Fernandez, Sandro Wartzack and Christopher Löffelmann
Digital 2026, 6(2), 51; https://doi.org/10.3390/digital6020051 - 17 Jun 2026
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Abstract
In today’s manufacturing industry, work-related musculoskeletal disorders (WMSDs) remain among the most prevalent occupational health issues. Collaborative robots (cobots) represent a promising technology to address this challenge. Consequently, ergonomics assessment in human–robot collaboration (HRC) has gained increasing attention in recent years. This study [...] Read more.
In today’s manufacturing industry, work-related musculoskeletal disorders (WMSDs) remain among the most prevalent occupational health issues. Collaborative robots (cobots) represent a promising technology to address this challenge. Consequently, ergonomics assessment in human–robot collaboration (HRC) has gained increasing attention in recent years. This study investigates the feasibility of using a coupled digital twin system consisting of a digital human model (DHM) and a cobot digital twin to assess detailed ergonomic parameters such as muscle activations and joint reaction forces in an HRC task. Selected parameters are used to develop an ergonomics map that condenses the effects of human–robot interaction into a single scalar value for each working position in the coronal plane in front of the user. The ergonomics mapping approach is presented, key influencing factors are identified, and critical workspace design implications are discussed. Full article
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