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21 pages, 4455 KB  
Article
Field Chemical Characterization of Sulfate-Induced Deterioration: A Case Study of Two Auxiliary Shafts in China
by Yong Xue, Tao Han, Tingting Luo, Yansen Wang, Chenyi Zhang, Yingfeng Tan, Tingding Zhou and Weihao Yang
Processes 2025, 13(12), 4078; https://doi.org/10.3390/pr13124078 - 18 Dec 2025
Viewed by 326
Abstract
Vertical shafts are the lifelines of coal mines, serving as critical conduits for resources and personnel. However, the long-term exposure of shaft walls to groundwater erosion significantly reduces their service life and increases the risk of structural failures. This issue is particularly pressing [...] Read more.
Vertical shafts are the lifelines of coal mines, serving as critical conduits for resources and personnel. However, the long-term exposure of shaft walls to groundwater erosion significantly reduces their service life and increases the risk of structural failures. This issue is particularly pressing in Inner Mongolia and Henan Provinces, two of China’s major coal-producing regions, where the challenge of sulfate attack on shafts in deep stratigraphic environments has become a growing concern. This study focused on the corrosion damage observed in these two typical auxiliary shafts: the net diameters and depths of the auxiliary shafts in Shunhe Coal Mine and Mataihao Coal Mine are 6 m and 768.5 m and 9.2 m and 457 m, respectively. The rock section shaft walls in the study range from 5 to 10 m in thickness and are constructed using C40 to C60 grade concrete. To assess the extent of this damage, we conducted a comprehensive analysis of shaft wall samples using water analysis, XRD (X-ray diffraction) analysis, FT-IR (Fourier transform infrared) spectroscopy, and XRF (X-ray fluorescence) analysis. The findings reveal that the identified secondary sulfate reaction products within the shaft wall concrete include calcium sulfate, gypsum, ettringite, and thaumasite. The CaO loss rates in the auxiliary shaft walls of Shunhe Coal Mine and Mataihao Coal Mine are as high as 66% and 47%, respectively. Additionally, the concentrations of SO3 and MgO in both mines exceed normal levels by up to 5 and 11 times, and 13 and 3 times, respectively. Despite this, severe corrosion is primarily confined to the inner surface of the auxiliary shaft walls, without significant penetration into the deeper shaft structure. The corrosion damage is predominantly concentrated in the shaft sections where the geological environment is characterized by bedrock. This study provides field evidence and laboratory analyses to inform the mitigation of sulfate attack in auxiliary shafts. Full article
(This article belongs to the Section Chemical Processes and Systems)
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22 pages, 5205 KB  
Article
Designing Dynamic Stacked Bar Charts for Alarm Semantic Levels: Hierarchical Color Cues and Orientation on Perceptual Order and Search Efficiency
by Jing Zhang, Qi Yan, Jinchun Wu and Weijia Ge
Sensors 2025, 25(24), 7589; https://doi.org/10.3390/s25247589 - 14 Dec 2025
Viewed by 444
Abstract
In sensor-based monitoring systems, the rapid and accurate recognition of alarm semantic levels is essential for maintaining operational reliability. Traditional static visualizations often fail to communicate these distinctions effectively under time pressure, whereas dynamic stacked bar charts (DSBCs) integrate multiple semantic layers into [...] Read more.
In sensor-based monitoring systems, the rapid and accurate recognition of alarm semantic levels is essential for maintaining operational reliability. Traditional static visualizations often fail to communicate these distinctions effectively under time pressure, whereas dynamic stacked bar charts (DSBCs) integrate multiple semantic layers into a compact, dynamic display. This study systematically investigated how color cues applied to auxiliary visual elements (background, foreground, labels, and scale lines) and chart orientation (horizontal vs. vertical) affect users’ alarm recognition performance. Thirty-two participants completed a semantic alarm recognition task involving DSBCs with various combinations of color-coded elements and orientations. Reaction time (RT) and accuracy (ACC) were analyzed using mixed-effects regression models. The results revealed that color cues in foreground and labels significantly enhanced both RT and ACC, whereas background and scale line color cues produced negligible effects. Orientation exerted a significant main effect on RT but not on ACC. Participants responded faster to horizontally oriented charts, indicating improved scanning efficiency. Moreover, increasing the number of color cues yielded higher ACC and shorter RTs, supporting a redundancy gain effect. However, no interaction was found between color cues and orientation, suggesting that these factors influence performance through distinct cognitive pathways. The findings align with theories of attentional guidance, redundancy gain, and spatial compatibility, and offer practical recommendations for alarm visualization design. Consequently, designers are advised to prioritize color coding of perceptually dominant elements, employ horizontal layouts in time-critical contexts, and implement redundant but non-overwhelming cues to enhance alarm recognition in complex sensor-based monitoring environments. Full article
(This article belongs to the Section Intelligent Sensors)
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31 pages, 16657 KB  
Article
Research on the Dynamic Characteristics of a New Bridge-and-Station Integrated Elevated Structure
by Kaijian Hu, Xiaojing Sun, Ruoteng Yang, Rui Han and Meng Ma
Vibration 2025, 8(4), 76; https://doi.org/10.3390/vibration8040076 - 3 Dec 2025
Viewed by 510
Abstract
Elevated stations are essential auxiliary structures within the high-speed rail (HSR) network. The newly constructed integrated elevated station for bridge building possesses a distinctive construction and intricate force transmission pathways, complicating the assessment of the dynamic coupling of train vibrations. Consequently, it is [...] Read more.
Elevated stations are essential auxiliary structures within the high-speed rail (HSR) network. The newly constructed integrated elevated station for bridge building possesses a distinctive construction and intricate force transmission pathways, complicating the assessment of the dynamic coupling of train vibrations. Consequently, it is essential to examine the dynamic reaction of trains at such stations. This study utilises numerical simulation and field measurement techniques to examine the dynamic features of the newly constructed integrated elevated station for bridge building. Initially, vibration tests were performed on existing integrated elevated stations for bridge construction to assess their dynamic properties. The collected data were utilised to validate the modelling approach and parameter selection for the numerical model of existing stations, yielding a numerical solution method appropriate for bridge-station integrated stations. Secondly, utilising this technology, a numerical model of the newly integrated elevated station for bridge construction was developed to examine its dynamic features. Moreover, the impact of spatial configuration, train velocity, and operational organisation on the dynamic characteristics was analysed in greater depth. The vibration response level in the waiting hall was assessed. Research results indicate that structural joints alter the transmission path of train vibration energy, thereby significantly affecting the vibration characteristics of the station. The vibration response under double-track operation is notably greater than that under single-track operation. When two trains pass simultaneously at a speed of 200 km/h or higher, or a single train passes at 350 km/h, the maximum Z-vibration level of the waiting hall floor exceeds 75 dB, which goes beyond the specification limit. Full article
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19 pages, 4095 KB  
Article
Consideration of Spatially Infinite Loads in the Problem for a Layer with a Cylindrical Cavity and Continuous Supports
by Nataliia Ukrayinets, Tetyana Alyoshechkina, Vitaly Miroshnikov, Oleksandr Savin, Basheer Younis, Vitalii Vynohradov and Olena Murahovska
Computation 2025, 13(11), 270; https://doi.org/10.3390/computation13110270 - 17 Nov 2025
Viewed by 349
Abstract
An analytical method is proposed for determining the stress-strain state in an elastic layer with a cylindrical cavity supported by linear continuous supports perpendicular to the cavity. The need for such a development is due to the fact that in aerospace and mechanical [...] Read more.
An analytical method is proposed for determining the stress-strain state in an elastic layer with a cylindrical cavity supported by linear continuous supports perpendicular to the cavity. The need for such a development is due to the fact that in aerospace and mechanical engineering, structural elements are often affected by loads and supports described by infinite functions. This complicates the calculation for spatial bodies with complex geometry and stress concentrators. The methodology is based on the generalized Fourier method within the spatial problem of elasticity theory. The model is considered as a layer with specified stresses at the outer boundaries, where the reactions of the supports are represented as applied loads. A combined approach is used to describe the geometry using a Cartesian coordinate system for the layer and a cylindrical coordinate system for the cavity. The key idea is to decompose the original problem into two simpler ones using the principle of superposition. Auxiliary problem: the stresses in a solid layer (without a cavity) are calculated to determine the stress fields at its nominal location. Main problem: a layer with a cavity is considered, on the surface of which the stresses calculated in the first step are acting but taken with the opposite sign. The complete solution is the sum of the solutions of these two problems. Each of them is reduced to an infinite system of linear algebraic equations, which is solved by the method of reduction. This approach makes it possible to calculate the stress-strain state at any point of the body with high accuracy. Numerical analysis confirmed the correctness of satisfying the boundary conditions and showed the dependence of stresses on the nature of the distributed loads. The cylindrical cavity acts as a stress concentrator, which leads to a local increase in stresses σx and σz at the upper and lower boundaries of the layer to values that exceed both the applied load by and the calculated resistance of concrete of class C25/30. Full article
(This article belongs to the Section Computational Engineering)
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16 pages, 4003 KB  
Article
Study on Decarburization Behavior in BOF Steelmaking Based on Multi-Zone Reaction Mechanism
by Zicheng Xin, Wenhui Lin, Jiangshan Zhang and Qing Liu
Materials 2025, 18(19), 4599; https://doi.org/10.3390/ma18194599 - 3 Oct 2025
Cited by 1 | Viewed by 710
Abstract
In this study, the decarburization behavior in basic oxygen furnace (BOF) steelmaking was investigated based on the multi-zone reaction mechanism. The contributions of the main reaction zones to decarburization were clarified, and the effects of key factors—including the effective reaction amount in the [...] Read more.
In this study, the decarburization behavior in basic oxygen furnace (BOF) steelmaking was investigated based on the multi-zone reaction mechanism. The contributions of the main reaction zones to decarburization were clarified, and the effects of key factors—including the effective reaction amount in the main reaction zones, the post combustion ratio (PCR) in auxiliary reaction zones, and the carbon content of scrap steel—on decarburization behavior were quantitatively analyzed. The results indicate that decarburization predominantly occurs in the jet impact reaction zone (approximately 76% of the total decarburization), followed by the emulsion and metal droplet reaction zone (approximately 14%) and the bulk metal and slag reaction zone (approximately 10%). Variations in the effective reaction amount for the main reaction zones significantly affect both the decarburization rate and the endpoint carbon content, with the direct oxidation decarburization reaction in the jet impact reaction zone being the dominant factor. In addition, the PCR in the gas homogenization zone of the auxiliary reaction zones determines the distribution ratio of effective reaction oxygen, while the melting behavior of scrap steel in the metal homogenization zone plays a critical role in the precise control of the endpoint carbon content. This study provides a quantitative elucidation of the effects of different reaction zones on decarburization behavior, offering a foundation for the precise control of endpoint carbon content in BOF steelmaking. Full article
(This article belongs to the Section Manufacturing Processes and Systems)
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22 pages, 7050 KB  
Article
Designing for Special Neurological Conditions: Architecture Design Criteria for Anti-Misophonia and Anti-ADHD Spaces for Enhanced User Experience
by Yomna K. Abdallah
Architecture 2025, 5(4), 85; https://doi.org/10.3390/architecture5040085 - 23 Sep 2025
Viewed by 1709
Abstract
ADHD and misophonia are developmental neurological disorders that are currently increasing in prevalence due to excessive acoustic and visual pollution. ADHD, which is characterized by a lack of attention and excessive impulsive hyperactivity, and misophonia, which is hypersensitivity to sounds accompanied by a [...] Read more.
ADHD and misophonia are developmental neurological disorders that are currently increasing in prevalence due to excessive acoustic and visual pollution. ADHD, which is characterized by a lack of attention and excessive impulsive hyperactivity, and misophonia, which is hypersensitivity to sounds accompanied by a severe emotional and psychological reaction, are both affected by the user’s spatial environment to a great extent. Spatial design can contribute to increasing or decreasing these unfavorable sensory triggers that affect individuals with ADHD and/or Misophonia. However, the role of architectural spatial design as a therapeutic approach to alleviate the symptoms of Misophonia and ADHD has never been proposed before in the literature, despite its accumulative and chronic effects on the user’s experience in everyday life in terms of well-being and productivity. Therefore, the current work discusses this problem of neglecting the potential effect of architectural spatial design on alleviating Misophonia and ADHD. Thus, the objective of the current work is to propose customized architectural spatial design as a therapeutic approach to alleviate Misophonia and ADHD through adopting the compatible architectural trends of minimal and metaphysical architecture. The methodology of the current work includes a theoretical proposal of this customized architectural spatial design for alleviating these two special neurological conditions. This includes introducing and analyzing these two neurological conditions and their relation to and interaction with architectural spatial design, analyzing minimal and metaphysical architectural trends employed in the proposed therapeutic architectural design, and then proposing augmented and virtual reality as auxiliary add-ons to the architectural spatial design to boost its therapeutic effect. Minimal architecture achieves the “no emotion” criteria through reduced forms, patterns, and colors and adopts simple geometry and natural materials to reduce sensory stressors or stimuli, in order to alleviate the loss of attention and distraction prevalent in those with ADHD, as well as allowing the employment of acoustic materials to achieve acoustic comfort and noise blockage for Misophonia relief. Metaphysical architecture leads the hierarchy of sensory experience through the symbolistic, dynamic, and enigmatic composition of forms and colors, which enhance the spatial analysis and cognitive capacities of the inhabitants. Meanwhile, the use of customized virtual and augmented reality environments is an effective add-on to minimal and metaphysical architectural spaces thanks to its proven therapeutic effect in alleviating various neurological disorders and injuries. At this level of intervention, VR/AR can be used as an add-on to minimal-architecture design, to simulate varied scenarios, as minimal design offers a clean canvas for simulating these varied virtual environments. The other option is to build these customized VR/AR scenarios around a specific architectural element as an add-on metaphysical architecture design to lead the sensory experience and enable the user to detach from the physical constraints of the space. AI-generated designs were used as a proof of concept for the proposed customized architectural spatial design following minimal and metaphysical architecture, as well as to provide AR and VR scenarios as add-on architecture to enhance the therapeutic effect of these architectural spaces for Misophonia and ADHD patients. Furthermore, the validity of VR/AR as a therapeutic approach, alongside the customized architectural design, was discussed, and it was concluded that this study proves the need for extended clinical studies on its efficiency in the long run, which will be conducted in the future. Full article
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30 pages, 16226 KB  
Article
A Dual-Stage and Dual-Population Algorithm Based on Chemical Reaction Optimization for Constrained Multi-Objective Optimization
by Tianyu Zhang, Xin Guo, Yan Li, Na Li, Ruochen Zheng, Wenbo Dong and Weichao Ding
Processes 2025, 13(8), 2484; https://doi.org/10.3390/pr13082484 - 6 Aug 2025
Viewed by 781
Abstract
Constrained multi-objective optimization problems (CMOPs) require optimizing multiple conflicting objectives while satisfying complex constraints. These constraints generate infeasible regions that challenge traditional algorithms in balancing feasibility and Pareto frontier diversity. chemical reaction optimization (CRO) effectively balances global exploration and local exploitation through molecular [...] Read more.
Constrained multi-objective optimization problems (CMOPs) require optimizing multiple conflicting objectives while satisfying complex constraints. These constraints generate infeasible regions that challenge traditional algorithms in balancing feasibility and Pareto frontier diversity. chemical reaction optimization (CRO) effectively balances global exploration and local exploitation through molecular collision reactions and energy management, thereby enhancing search efficiency. However, standard CRO variants often struggle with CMOPs due to the absence of specialized constraint-handling mechanisms. To address these challenges, this paper integrates the CRO collision reaction mechanism with an existing evolutionary computational framework to design a dual-stage and dual-population chemical reaction optimization (DDCRO) algorithm. This approach employs a staged optimization strategy, which divides population evolution into two phases. The first phase focuses on objective optimization to enhance population diversity, and the second prioritizes constraint satisfaction to accelerate convergence toward the constrained Pareto front. Furthermore, to leverage the infeasible solutions’ guiding potential during the search, DDCRO adopts a two-population strategy. At each stage, the main population tackles the original constrained problem, while the auxiliary population addresses the corresponding unconstrained version. A weak complementary mechanism facilitates information sharing between populations, which enhances search efficiency and algorithmic robustness. Comparative tests on multiple test suites reveal that DDCRO achieves optimal IGD/HV values in 53% of test problems. The proposed algorithm outperforms other state-of-the-art algorithms in both convergence and population diversity. Full article
(This article belongs to the Section Chemical Processes and Systems)
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20 pages, 873 KB  
Article
A Mixed Finite Volume Element Method for Nonlinear Time Fractional Fourth-Order Reaction–Diffusion Models
by Jie Zhao, Min Cao and Zhichao Fang
Fractal Fract. 2025, 9(8), 481; https://doi.org/10.3390/fractalfract9080481 - 23 Jul 2025
Cited by 1 | Viewed by 678
Abstract
In this paper, a linearized mixed finite volume element (MFVE) scheme is proposed to solve the nonlinear time fractional fourth-order reaction–diffusion models with the Riemann–Liouville time fractional derivative. By introducing an auxiliary variable σ=Δu, the original fourth-order model is [...] Read more.
In this paper, a linearized mixed finite volume element (MFVE) scheme is proposed to solve the nonlinear time fractional fourth-order reaction–diffusion models with the Riemann–Liouville time fractional derivative. By introducing an auxiliary variable σ=Δu, the original fourth-order model is reformulated into a lower-order coupled system. The first-order time derivative and the time fractional derivative are discretized by using the BDF2 formula and the weighted and shifted Grünwald difference (WSGD) formula, respectively. Then, a fully discrete MFVE scheme is constructed by using the primal and dual grids. The existence and uniqueness of a solution for the MFVE scheme are proven based on the matrix theories. The scheme’s unconditional stability is rigorously derived by using the Gronwall inequality in detail. Moreover, the optimal error estimates for u in the discrete L(L2(Ω)) and L2(H1(Ω)) norms and for σ in the discrete L2(L2(Ω)) norm are obtained. Finally, three numerical examples are given to confirm its feasibility and effectiveness. Full article
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26 pages, 9003 KB  
Article
A Pilot-Scale Gasifier Freeboard Equipped with Catalytic Filter Candles for Particulate Abatement and Tar Conversion: 3D-CFD Simulations and Experimental Tests
by Alessandra Tacconi, Pier Ugo Foscolo, Sergio Rapagnà, Andrea Di Carlo and Alessandro Antonio Papa
Processes 2025, 13(7), 2233; https://doi.org/10.3390/pr13072233 - 12 Jul 2025
Cited by 1 | Viewed by 1198
Abstract
This work deals with the catalytic steam reforming of raw syngas to increase the efficiency of coupling gasification with downstream processes (such as fuel cells and catalytic chemical syntheses) by producing high-temperature, ready-to-use syngas without cooling it for cleaning and conditioning. Such a [...] Read more.
This work deals with the catalytic steam reforming of raw syngas to increase the efficiency of coupling gasification with downstream processes (such as fuel cells and catalytic chemical syntheses) by producing high-temperature, ready-to-use syngas without cooling it for cleaning and conditioning. Such a combination is considered a key point for the future exploitation of syngas produced by steam gasification of biogenic solid fuel. The design and construction of an integrated gasification and gas conditioning system were proposed approximately 20 years ago; however, they still require further in-depth study for practical applications. A 3D model of the freeboard of a pilot-scale, fluidized bed gasification plant equipped with catalytic ceramic candles was used to investigate the optimal operating conditions for in situ syngas upgrading. The global kinetic parameters for methane and tar reforming reactions were determined experimentally. A fluidized bed gasification reactor (~5 kWth) equipped with a 45 cm long segment of a fully commercial filter candle in its freeboard was used for a series of tests at different temperatures. Using a computational fluid dynamics (CFD) description, the relevant parameters for apparent kinetic equations were obtained in the frame of a first-order reaction model to describe the steam reforming of key tar species. As a further step, a CFD model of the freeboard of a 100 kWth gasification plant, equipped with six catalytic ceramic candles, was developed in ANSYS FLUENT®. The composition of the syngas input into the gasifier freeboard was obtained from experimental results based on the pilot-scale plant. Simulations showed tar catalytic conversions of 80% for toluene and 41% for naphthalene, still insufficient compared to the threshold limits required for operating solid oxide fuel cells (SOFCs). An overly low freeboard temperature level was identified as the bottleneck for enhancing gas catalytic conversions, so further simulations were performed by injecting an auxiliary stream of O2/steam (50/50 wt.%) through a series of nozzles at different heights. The best simulation results were obtained when the O2/steam stream was fed entirely at the bottom of the freeboard, achieving temperatures high enough to achieve a tar content below the safe operating conditions for SOFCs, with minimal loss of hydrogen content or LHV in the fuel gas. Full article
(This article belongs to the Section Chemical Processes and Systems)
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13 pages, 2391 KB  
Article
Stable Carbon Isotope Fractionation of Trichloroethylene Oxidized by Potassium Permanganate Under Different Environmental Conditions
by Yaqiong Dong, Yufeng Wang, Lantian Xing, Ghufran Uddin, Yuanxiao Guan, Zhengyang E, Jianjun Liang, Ping Li, Changjie Liu and Qiaohui Fan
Appl. Sci. 2025, 15(13), 7142; https://doi.org/10.3390/app15137142 - 25 Jun 2025
Viewed by 936
Abstract
Stable isotope analysis is a powerful tool for inferring and quantifying transformation processes, but its effectiveness relies on understanding the magnitude and variability of isotopic fractionation associated with specific reactions. Potassium permanganate (KMnO4) is widely used as an efficient oxidant for [...] Read more.
Stable isotope analysis is a powerful tool for inferring and quantifying transformation processes, but its effectiveness relies on understanding the magnitude and variability of isotopic fractionation associated with specific reactions. Potassium permanganate (KMnO4) is widely used as an efficient oxidant for the degradation of trichloroethylene (TCE); however, the influence of environmental factors on the isotope fractionation during this process remains unclear. In this study, compound-specific isotope analysis (CSIA) was conducted to investigate the variability in carbon isotope effects during the KMnO4-mediated degradation of TCE under varying conditions, including initial concentrations of KMnO4 and TCE, the presence of humic acid (HA), pH levels, and inorganic ions. The results showed that the overall carbon isotope enrichment factors (ε) of TCE ranged from −26.5 ± 0.5‰ to −22.8 ± 0.9‰, indicating relatively small variations across conditions. At low KMnO4/TCE molar ratio (n(KMnO4)/n(TCE)), incomplete oxidation and/or MnO2-mediated oxidation of TCE likely resulted in smaller ε. For dense, non-aqueous phase liquid (DNAPL) TCE, which represents extremely high concentrations, the ε value was −13.0 ± 1.7‰ during KMnO4 oxidation. This may be attributed to the slow dissolution of isotopically light TCE from the DNAPL phase, altering the δ13C signature of the reacted TCE and resulting in a significantly larger ε value than observed for dissolved-phase TCE oxidation. The ε values increased with rising pH, probably due to the decrease in oxidation potential (E0) of KMnO4 from pH ~2 to ~12, as well as the emergence of different degradation pathways and intermediates under varying pH conditions. Both SO42− and NO3 slightly influenced the ε values, potentially due to the formation of H2SO4 and HNO3 at lower pH, which may act as auxiliary oxidants and contribute to TCE degradation. A high concentration (50 mM) of HA led to a decrease in ε values, likely due to competitive interactions between HA and TCE for KMnO4, which reduced the effective oxidation of TCE. Overall, the carbon isotope enrichment factors for KMnO4-mediated TCE degradation are relatively stable, although certain environmental conditions can exert minor influences. These findings highlight the need for caution when applying quantitative assessment based on CSIA for KMnO4 oxidation of TCE. Full article
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20 pages, 2816 KB  
Article
Swirling Flameless Combustion of Pure Ammonia Fuel
by Lizhen Qin, Hossein Ali Yousefi Rizi, Byeongjun Jeon and Donghoon Shin
Energies 2025, 18(12), 3104; https://doi.org/10.3390/en18123104 - 12 Jun 2025
Cited by 3 | Viewed by 1565
Abstract
Ammonia combustion has garnered increasing attention due to its potential as a carbon-free fuel. Globally swirling flow in a rectangular furnace generates flameless conditions by high flue gas recirculation. The reverse air injection (RAI) technique enabled stable swirling flameless combustion of pure ammonia [...] Read more.
Ammonia combustion has garnered increasing attention due to its potential as a carbon-free fuel. Globally swirling flow in a rectangular furnace generates flameless conditions by high flue gas recirculation. The reverse air injection (RAI) technique enabled stable swirling flameless combustion of pure ammonia without auxiliary methods. Experiments with pure ammonia combustion in a swirling flameless furnace demonstrated an operable equivalence ratio (ER) range of 0.3–1.05, extending conventional flammability limits of pure ammonia as a fuel. NO emissions were reduced by 40% compared to conventional combustion, with peak concentrations of 1245 ppm at ER = 0.71 and near-zero emissions at ER = 1.05. Notably, flameless combustion exhibited lower temperature sensitivity in NO formation; however, the ER has a serious effect. Developing a simplified reaction model for ammonia combustion is crucial for computational fluid dynamics (CFD) research. A reduced kinetic mechanism comprising 36 reactions and 16 chemical species was introduced, specifically designed for efficient and precise modeling of pure ammonia flameless combustion. Combustion simulation using the eddy dissipation concept (EDC) approach confirmed the mechanism’s predictive capability, maintaining acceptable accuracy across the operating conditions. Full article
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17 pages, 6782 KB  
Article
Selective Adsorption of Fluorine Contaminants from Spiked Wastewater via a Novel FeIII–CeIV-Based Layered Hydroxide Composite and Mechanism Analysis of Colloids and Surfaces
by Jing Du, Yanyan Zhao, Tao Huang, Hui Li and Jia He
Materials 2025, 18(11), 2665; https://doi.org/10.3390/ma18112665 - 5 Jun 2025
Cited by 1 | Viewed by 893
Abstract
Excessive intake of fluorine (F) over time can lead to acute or chronic fluorosis. In this study, a novel FeIII–CeIV-based layered hydroxide composite (DD-LHC) was synthesized and applied in both batch and column modes to develop new adsorbent materials [...] Read more.
Excessive intake of fluorine (F) over time can lead to acute or chronic fluorosis. In this study, a novel FeIII–CeIV-based layered hydroxide composite (DD-LHC) was synthesized and applied in both batch and column modes to develop new adsorbent materials and to obtain efficient removal of fluorine (F) anions from wastewater. DD-LHC achieved better adsorption results and material stability compared to green rusts (GR, FeII–FeIII hydroxide). The maximum adsorption capacity of DD-LHC for F was 44.68 mmol·g−1, obtained at an initial pH of 5 and initial concentration of 80 mM. The substitution of CeIV for FeII in the intercalated layered structure of GR potentially changed the reaction pathways for F removal, which are typically dominant in the layered double hydroxides (LDHs) of FeII–FeIII. The molecular structure of layered hydroxides combined with the three-dimensional (3D) metal frame of Fe-O-Ce was integrated into DD-LHC, resulting in nanoscale particle morphologies distinct from those of GR. The pseudo-first-order kinetic model effectively described the whole adsorption process of DD-LHC for F. DD-LHC exhibited notable selectivity for F across a wide pH range. The removal process of F by DD-LHC was dominated by Ce–F coordination bonds, with additional influences from auxiliary pathways to different extents. Full article
(This article belongs to the Section Construction and Building Materials)
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16 pages, 1321 KB  
Article
Solvent-Free 1,3-Dipolar Cycloadditions of Nitrones for a More Sustainable Synthesis of Glycomimetics
by Debora Pratesi, Alessio Morano, Andrea Goti, Francesca Cardona and Camilla Matassini
Reactions 2025, 6(2), 36; https://doi.org/10.3390/reactions6020036 - 5 Jun 2025
Viewed by 2256
Abstract
1,3-Dipolar cycloadditions on nitrone dipoles are key reactions to access five-membered heterocycles, which are useful intermediates in the synthesis of biologically relevant glycomimetics. The good atomic balance and high stereoselectivity characteristic of such reactions make them good candidates for the development of green [...] Read more.
1,3-Dipolar cycloadditions on nitrone dipoles are key reactions to access five-membered heterocycles, which are useful intermediates in the synthesis of biologically relevant glycomimetics. The good atomic balance and high stereoselectivity characteristic of such reactions make them good candidates for the development of green protocols. In the present work, these features were maximized by avoiding the use of organic solvents and considering starting materials derived from biomass. Reactions involving (acyclic and cyclic) carbohydrate-derived nitrones as dipoles and levoglucosenone as dipolarophile were considered. Performing selected 1,3-dipolar cycloadditions in neat conditions showed reduced reaction times, maintaining similar selectivity and yields with respect to the classical protocols. The use of microwave irradiation and orbital shaking were also exploited to increase the sustainability of the synthetic protocols. The collected results highlight the potential of solvent-free 1,3-dipolar cycloadditions in the design of efficient synthetic routes according to green chemistry principles, such as prevention, atom economy, safer solvents and auxiliaries, and use of renewable feedstocks. Full article
(This article belongs to the Special Issue Cycloaddition Reactions at the Beginning of the Third Millennium)
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27 pages, 6747 KB  
Review
Innovative Application and Research of Industrial Solid Waste in Mining Filling Materials in China
by Zhimeng Song, Jinxing Lyu, Zhiyi Zhang, Bao Song, Songxiang Liu and Chengyuan Guan
Sustainability 2025, 17(11), 5136; https://doi.org/10.3390/su17115136 - 3 Jun 2025
Cited by 3 | Viewed by 1380
Abstract
The swift advancement of China’s mining sector has led to the generation of substantial amounts of industrial solid waste, which poses significant risks to the ecological environment. This study aims to investigate effective methods for utilizing industrial solid waste in the production of [...] Read more.
The swift advancement of China’s mining sector has led to the generation of substantial amounts of industrial solid waste, which poses significant risks to the ecological environment. This study aims to investigate effective methods for utilizing industrial solid waste in the production of mine filling materials, thereby facilitating green mine construction and the efficient use of resources. The study employs the PRISMA methodology to conduct a systematic review of the pertinent literature, analyzing the current status, challenges, and developmental trends associated with the use of coal-based solid waste, smelting waste, industrial by-product gypsum, and tailings in filling materials. The findings indicate that, while the use of individual coal-based solid waste in filling materials shows promise, there is a need to optimize the ratios and activation technologies. Furthermore, the synergistic application of multi-source coal-based solid waste can enhance the overall utilization rate; however, further investigation into the reaction mechanisms and ratio optimization is required. Smelting slag can serve as a cementing agent or aggregate post-treatment, yet further research is necessary to improve its strength and durability. Industrial by-product gypsum can function as an auxiliary cementing material or activator, although its large-scale application faces significant challenges. Tailings present advantages as aggregates, but concerns regarding their long-term stability and environmental impacts must be addressed. Future research should prioritize the synergistic utilization of multi-source solid waste, performance customization, low-carbon activation technologies, and enhancements in environmental safety. Additionally, the establishment of a comprehensive lifecycle evaluation and standardization system is essential to transition the application of industrial solid-waste-based filling materials from empirical ratios to mechanism-driven approaches, ultimately achieving the dual objectives of green mining and the resource utilization of solid waste in mining operations. Full article
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12 pages, 1656 KB  
Article
Organophotoredox-Catalyzed Stereoselective Synthesis of Bicyclo[3.2.0]heptanes via [2+2] Photocycloaddition
by Tommaso Benettin, Simonetta Resta, Alessandra Forni, Laura Raimondi, Alessandra Puglisi and Sergio Rossi
Molecules 2025, 30(10), 2090; https://doi.org/10.3390/molecules30102090 - 8 May 2025
Cited by 2 | Viewed by 1555
Abstract
The stereoselective synthesis of bicyclo[3.2.0]heptanes via an anion radical [2+2] photocycloaddition of aryl bis-enone derivatives was investigated. By employing chiral oxazolidinone auxiliaries bound to aryl bis-enone substrates, enantioenriched, highly substituted bicyclo[3.2.0]heptanes have been synthesized. The reaction, mediated by Eosin Y and promoted by [...] Read more.
The stereoselective synthesis of bicyclo[3.2.0]heptanes via an anion radical [2+2] photocycloaddition of aryl bis-enone derivatives was investigated. By employing chiral oxazolidinone auxiliaries bound to aryl bis-enone substrates, enantioenriched, highly substituted bicyclo[3.2.0]heptanes have been synthesized. The reaction, mediated by Eosin Y and promoted by LiBr under visible light irradiation, has been studied both experimentally and computationally to elucidate the mechanism and stereoselective outcomes. The process proceeds via a syn-closure pathway, leading to the formation of the corresponding cis-anti diastereoisomers as major products isolated and characterized by X-ray analysis; DFT calculations provided useful insights and computational support which allow a plausible reaction mechanism to be proposed that agrees with the collected experimental data. Full article
(This article belongs to the Special Issue Cyclization Reactions in Organic Synthesis: Recent Developments)
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