Coal seam water injection fracturing technology significantly reduces coal dust concentration through modification of coal seam properties, representing a critical approach for achieving safe and efficient coal mining. However, the synergistic mechanism between conventional fracturing fluids in wetting modulation and pore remodeling remains unclear, limiting further optimization of their performance. To address this, this paper innovatively synthesized a cationic trimeric surfactant (CSJT). It was blended with dodecyl trimethyl ammonium bromide (DTAB) and potassium chloride (KCl) to form a composite fracturing fluid, designed to synergistically enhance coal seam modification. Through experiments including contact angle measurement and low-temperature nitrogen adsorption, the effects of the composite fracturing fluid on the wettability and pore structure of gas coal were evaluated, revealing the synergistic mechanism. The results demonstrated a significant wettability-altering effect of this system, as evidenced by reductions in surface tension to 27.379 mN/m and contact angle to 19.8°, resulting in a hydrophilic transformation of the coal. Simultaneously, the system effectively increased the content of hydrophilic functional groups in the coal samples and enlarged the average pore size, indicating significant pore expansion. The simulation results indicated that the system significantly enhanced water diffusion on the coal surface, yielding a diffusion coefficient (D) of 17.98 × 10-9 m2/s and an interfacial adsorption layer thickness of 58.38 Å, thereby elucidating the dynamic mechanism of wettability enhancement at the molecular level. This study provides innovative material design strategies for coal seam water injection fracturing technology, thereby contributing to effective dust control and green mining practices.

ABSTRACT Liquefied petroleum gas/dimethyl ether (LPG/DME) blended gas is a promising clean alternative fuel, characterized by high efficiency and clean combustion properties. To reveal the combustion characteristic mechanism and evolutionary process under multi‐factor coupling conditions, this study investigates the propagation and instability characteristics of spherically expanding flames of LPG/DME blended gas at different equivalence ratios ( φ = 0.7–2.0) and blending ratios ( X = 0–1.0) using a constant volume combustion bomb and high‐speed schlieren technique. Combined with CHEMKIN chemical kinetic calculations (mainly including reaction pathway and sensitivity analyses), the evolution and competition laws of diffusive‐thermal and hydrodynamic instabilities under different φ and X conditions are explored, as well as the significant influence of buoyancy instability on flame morphology and propagation under highly fuel‐rich conditions. Results show that the laminar burning velocity ( S L ) first increases and then decreases with φ , with a peak value of 0.47811 m/s occurring at φ = 1.0–1.2. In contrast, S L decreases with increasing X , reaching a minimum of 0.04262 m/s. Under lean conditions, the effective Lewis number Le eff ≫ 1, and the flame remains stable under the dominant effect of diffusive‐thermal instability. Under rich conditions, increasing X enhances diffusive‐thermal instability, raises the flame thickness ( δ ) to a maximum of 0.624 mm, and decreases the thermal expansion ratio ( σ ) to a minimum of 6.595, thereby weakening hydrodynamic instability and causing flame instability. At a highly rich condition of φ = 2.0, the dominant instability mechanism shifts from the combined effect of diffusive‐thermal and hydrodynamic instabilities to buoyancy instability, further increasing the tendency toward flame instability. Through reaction path and sensitivity analysis, the mechanism that LPG addition influences combustion rate by controlling OH radical fraction is clarified.

To reveal the microscopic explosion reaction mechanism of thermal runaway (TR) gas-liquid two-phase ejecta from lithium-ion batteries (LIBs), this study breaks through the simplified assumption of gas-liquid coupling explosion in the traditional model, and the microscopic explosion reaction mechanism of actual TR ejecta from lithium iron phosphate (LFP) battery under different equivalence ratios (Փ) is discussed on the atomic scale for the first time. The results show that the TR liquid-phase ejecta reacts later than the TR gas-phase ejecta, with pyrolysis reactions dominating the process, and under the condition of Փ = 0.8, 1.0 and 1.2, the lowest proportion of EMC, EC and PC pyrolysis reaction is 70.81%, 72.73% and 81.81%, respectively. Meanwhile, due to the reactivity of three molecules EMC, PC and EC gradually increases, resulting in the initial reaction time is EMC < PC < EC. The reaction mechanisms and intensities of the key intermediate products CH3 and CH2O are primarily regulated by O2 and OH free radicals. When Փ < 1.0, CH3 is mainly consumed by the elementary reaction CH3 + O2 → CH3O2, and when Փ > 1.0, the dominant consumption path shifts to the elementary reaction CH3 + OH → CH4O. Additionally, the elementary reaction CH2O + OH → H2O + CHO plays a dominant role in the CH2O consumption path under any conditions, and the absolute value of the relative sensitivity coefficient increases significantly with the increase of Փ. With the increase of Փ, the number of species in the reaction system decreases at first and then increases, and the amount of reductive gas CO generates by the pyrolysis of TR liquid-phase ejecta, the number of molecules that can be oxidized into the final product CO2 decreases, resulting in the gradual decrease of NCO2,end, the gradual increase of NCO,end, the increases first and then decreases of NH2O,end with the increase of Փ, all of which conform to the variation laws of quadratic functions. The results reveal the complex system of LIBs TR explosion reaction from a microscopic point of view, providing a new theoretical perspective and microscopic evidence for understanding the LIBs TR explosion reaction mechanism.

Given the fire and explosion risks posed by thermal runaway (TR) gases in lithium iron phosphate batteries, this study investigates their combustion and explosion characteristics based on experimental analysis and theoretical calculation methods. Results show the explosion limit widens with increasing state of charge (SOC), peaking during TR. Adiabatic flame temperature (AFT) and adiabatic overpressure (AO) first rise then fall with equivalence ratio (phi), maximizing under rich conditions. Both AFTmax and AOmax increase with SOC and peak in the TR stage. Laminar flame speed (LFS) and temperature (LFT) follow a similar trend with phi, reaching their highest values (LFSmax = 74.50 cm/s, LFTmax = 2219.79 K) at 100% SOC in the TR stage. Flame thickness shows convex variation, while thermal expansion ratio is concave. Flame instability is highest at 100% SOC during TR and most stable at 25% SOC during safety valve opening. Ignition delay time (IDT) is much shorter for high-SOC gases in TR and TR cooling stage. The maximum mole fractions of H, O, and OH radicals first increase then decrease with phi, and [H + O + OH]max correlates linearly with LFS. Key elementary reactions: H + O2 = O + OH promotes combustion, while OH + H + M = H2O + M and HCO + H=CO + H2 inhibit it. With progressing stages and higher SOC, the influence on LFS sensitivity coefficients is non-monotonic, with promoting reactions remaining dominant. It was found through pathway analysis that H2O formation occurs directly from H2, CH4, and C2H4, or via CH3 from CH4. CO2 forms mainly through CH2 oxidation from CH4 and C2H4. And a TR gas combustion and explosion hazard severity assessment model was constructed. Through the gray-fuzzy analytic hierarchy process, it was found that the gas in the TR stage under 100% SOC has the highest hazard severity.

Infection-related urinary stones represent a typical form of biomineralization within the human body. This study systematically elucidates the multi-scale role of microorganisms in the formation pathway of struvite stones. Analyses ranging from the macroscopic to the molecular level demonstrate that Pseudomonas aeruginosa DH4 significantly alters the hydrochemical properties of the culture environment through its physiological and biochemical activities. This strain can elevate the pH of the aqueous environment from 7 to 8.7 in approximately 60 h, and the NH3-N yield can reach 3.9 mg within about 50 h, thereby creating favorable conditions for the nucleation and growth of struvite crystals. SEM and XRD analyses further reveal that biologically induced struvite exhibits optimized features in terms of lattice structure, crystallinity, and crystal morphology. For instance, the average crystallinity of the struvite (1 11) crystal plane was 86.59%, compared with 86.85% for the chemically synthesized sample, and the cell volume decreased from 478.62 to 476.74 & Aring;3. The molecular dynamics simulations clarify the pre-nucleation evolution pathways under microbial influence. Collectively, these findings provide direct molecular and microscopic evidence for understanding the formation of infection-related urinary stones and establish a solid theoretical foundation for potential clinical interventions through modulation of microbial metabolism or inhibition of mineralization processes.

To address the challenge of efficiently filtering fine dust in industrial and mining environments, P(VDF-TrFE)/BaTiO3(BTO) nanofibers were fabricated via electrospinning and integrated into a self-powered triboelectric nanogenerator (TENG) using annealed modification and a bead-on-string structure design. By optimizing the electrospinning parameters, the synthesized nanofibrous membranes exhibited a distinctive bead-on-string morphology, enhancing their surface roughness and triboelectric properties. Annealed P(VDF-TrFE)/BTO fibrous membranes demonstrated excellent hydrophobicity (water contact angle of 130.2°) and high moisture permeability (4834.50 g/m2·24 h), facilitating the removal of water vapor and mitigating charge dissipation. BTO nanoparticles were selected as electrets to enhance the filtration performance of the P(VDF-TrFE) membranes. The annealed P(VDF-TrFE)/BTO membrane achieved a filtration efficiency of 97.6%, a pressure drop of 93 Pa, and a quality factor (QF) of 0.04 Pa-1. The TENG was constructed using polyamide 66 (PA66) as the positive triboelectric layer and the prepared nanofibrous membranes as the negative triboelectric layer. The annealed TENG continuously generated electrostatic charges by expiratory/inspiratory contact and separation process (Voc = 13.84 V, Isc = 3.01 μA, Qtr = 14.01 nC), exhibiting a superior filtration efficiency of 95.46% for fine particles during a long period of filtration test (240 min). COMSOL simulations revealed that the bead-on-string structure (Pf = 2.32) amplified the TENG's potential difference to 62 V, higher than that of the slender bead-on-string structures (Pf = 2.52, 54 V; Pf = 2.53, 51 V). The largest number of bead-on-string structures with a uniform arrangement generated the highest specific surface area and porosity, benefiting the collection of fine particles. This investigation presents a novel air purification approach with great prospects for wearable breathing devices for personal occupational health protection.

Aiming at the problems of low penetration efficiency and poor wettability of traditional fracturing fluids in the process of coal seam water injection dust reduction, this study reveals the mechanism of the influence of dual Gemini-based fracturing fluid (GAS-22/Gemini-3OH) on the seepage-wetting characteristics of the coal body by combining experiments with Lattice Boltzmann (LBM) mesoscopic simulation. The rheological analysis showed that the dual Gemini-based fracturing fluid would have shear thinning property, which is favorable to its efficient penetration in the pores of the coal body. The analysis of the pore-fracture structure of the coal body showed that the dual Gemini-based fracturing fluid changed the semi-open or closed pores of the coal samples into open pores, and the volume of the macropores increased from 33.50 % to 37.03 %, and the connectivity was enhanced, which had obvious connectivity and pore-expanding effects on the coking coal. The wettability experiment showed that the fracturing fluid made the equilibrium water absorption rate of the coal body reach 10.68 %, and the contact angle decreased to 21.5 degrees. Triaxial seepage experiments showed that the permeability coefficient of fracturing fluid was enhanced by 5.537 times at 5 MPa injection pressure compared with that at 1 MPa. LBM simulations revealed the mechanism of seepage velocity increase under high pressure, and the x-axial mean flow rate was characterized by V-shaped distribution. This study provides theoretical and experimental basis for improving the effect of coal seam water injection.

As the energy density and capacity of lithium-ion batteries (LIBs) continues to increase, safety issues caused by thermal runaway propagation (TRP) have become one of the most significant threats to electric vehicles (EVs) and energy storage systems (ESS). Reducing the risk of TRP is important for the widespread use of LIBs. In this study, a novel hydrogel and glass fiber (GF) composite thermal insulator was fabricated using a skeletal structure optimization technique to inhibit TRP in LIB modules. Mechanical and thermal insulation test results show that by optimizing the formulation and structural design, the maximum compressive strength of the composite hydrogel is increased from 10.32 MPa to 36.32 MPa, and the material has a low thermal conductivity (0.03145 W.m-1.K-1) after dehydration, which can provide continuous thermal protection for the battery. In thermal stability tests, the material demonstrated excellent flame retardancy with a peak HRR release rate of 45.68 KW/ m2, a reduction of 51.17 % compared to when no HAP was added. The material is also environmentally friendly, with total CO and CO2 emissions of only 0.39 g, or 2.67 % of total emissions. A study of TRP suppression behavior was carried out on a fully charged 18650-NCM811 battery pack (3 x 3 arrangement). The results showed that filling 4 mm composite hydrogel was able to extend 1442 s, 1319 s and 1405 s, with a maximum temperature difference between batteries averaging 510.4 degrees C, and drastically reduce the size of the TRP compared to the blank control group when the heat source was at the corner, side and center, respectively. In addition, the material exhibits excellent thermal management performance, with the maximum temperature of the hydrogelcooled battery module at 3C discharge multiplier being only 62 degrees C, a 19.7 % reduction on the air convection-cooled battery module (77.2 degrees C). This study provides a cost-effective and environmentally friendly solution for TRP suppression in LIB modules.

Spray dust suppression technology is a kind of dust removal method widely used in underground mines, and understanding the droplet field distribution characteristics is crucial for improving its efficiency. This study used the 2D Particle Image Velocimetry (PIV) to analyze the distribution of the velocity field under different nozzle outlet diameters and pressure conditions. The extraction and analysis of different particle sizes in spray images were realized using MATLAB. The results showed that as the water supply pressure increased and the nozzle outlet diameter decreased, the proportion of areas with velocities exceeding 20 m/s exhibited an increasing trend. In the measurement area of 490-910 mm from the nozzle, the proportion of medium-to-high-speed droplets in the range of 30-40 m/s and the proportion of high-speed droplets exceeding 40 m/s decreased to zero. Compared with the near-spray field (150-590 mm from the nozzle), the magnitude of reduction in the proportion of the speed range of 20-30 m/s increased with the increase of pressure and the decrease of outlet diameter. The proportion of 15-70 mu m droplets increases first and then decreases with the increase of axial distance. The proportion of 15-70 mu m droplets reached maximum when the pressure was 4 MPa and the outlet diameter was 1.2 mm. This study provides a new idea and method for comprehensive analysis of nozzle at-omization characteristic.

In response to air pollution and the spread of respiratory diseases, this study employed electrospinning technology to fabricate a degradable dual-layer Janus structured mask filter with visible light photocatalytic antibacterial properties. The inner layer consists of hydrophobic polylactic acid (PLA) fibers, while the outer layer is composed of hydrophilic degradable polyvinyl alcohol/polyethylene oxide (PVA/PEO) incorporated with Ndoped modified nano titanium dioxide (N-TiO2). The results demonstrate that the Janus structure enhances mechanical properties, significantly improves particle filtration efficiency for the particles ranging from 0.3 to 10 mu m across various air flows. Additionally, the asymmetric wettability contributes to improved moisture permeability, achieving a water vapor permeance of up to 5034.503 g & sdot;m-2 & sdot;24 h-1. Under visible light, N-TiO2 generates reactive oxygen species, demonstrating antibacterial rates of 93.7% against Escherichia coli and 97.5% against Staphylococcus aureus. Moreover, both PLA and PVA/PEO based materials exhibited favorable degradation in soil and enzymatic environments. In this study, the prepared filter material with dust filtration, antibacterial activity, moisture permeability and degradability, revealed a multi-functional cycle promotion mechanism under visible light catalysis, providing a safe, environmentally friendly and effective solution for personal protection.

A novel Janus double-layer nanofibrous membrane (PTPA) was prepared via electrospinning, consisting of a hydrophobic PVDF-HFP/TiO2 outer layer and a hydrophilic PVA/beta-cyclodextrin inner layer. This asymmetric architecture blocks external moisture and dust while facilitating inward-to-outward water-vapor transport. The 0.3 wt% TiO2 membrane (PTPA2) exhibited the optimal overall performance, showing a uniform fiber morphology (average diameter 0.237 mu m) and excellent mechanical stability (breaking force 92.3 cN). At an air flow rate of 65 L min- 1, PTPA2 achieved a high filtration efficiency of 98.64% and a pressure drop of 140 Pa, while maintaining high air permeability (296.61 mm s-1). The Janus wettability further improved wearing comfort: the outer surface exhibited a contact angle of approximately 130 degrees to resist external moisture intrusion, while the inner surface rich in hydroxyl/ether groups promoted rapid water vapor transmission. Importantly, the Janus interface and TiO2 induced dielectric modulation enhanced charge generation and retention, producing a short-circuit current fluctuation of +/- 1.2 mu A and a transferred charge of 11.2 nC. The dielectric constant increased from 8.2 to 12.5 at 40% relative humidity (RH), supporting stronger electrostatic capture and more stable selfpowered signals. This work provides a promising approach for high-efficiency, low-resistance, and comfortoriented respiratory protection media in humid and dusty mining environments.

NH₃/H₂ blended gas as a zero‑carbon energy carrier holds significant potential for the energy transition, yet the explosion propagation risk of zero‑carbon fuel in semi-confined elongated spaces remains unclear. This study investigates the effects of pre-blended section ratio (H) and length-to-diameter ratio (L/D) on the explosion kinetics of NH₃/H₂ blended fuels in a semi-confined space. Results show that the maximum explosion overpressure (Pmax) increases significantly with both H and L/D. As H rises from 1/6 to 6/6, Pmax increases from 1.155 to 1.456 MPa, with peak time reduced by 48.9%. At L/D = 48, Pmax reaches 1.650 MPa, peak time reduced by 19.6%. The peak flame temperature (Tmax) monotonically increases with H but shows non-monotonic variation with L/D. Increasing H enhances shock and flame velocities, and the velocity difference drops by 95.9%, indicating a rapid transition to detonation. Larger L/D intensifies turbulence, promoting finger-shaped flames over tulip-shaped ones. To ensure safety, H should be ≤3/6 and L/D ≤ 40, or detonation suppression devices should be installed.

Mine dust generated during coal mining and processing causes pneumoconiosis among miners and long-term environmental pollution. However, traditional mine protective materials struggle to balance high dust filtration efficiency, low breathing resistance (for wearer comfort), and reusable self-cleaning capability (for durability). Addressing both the urgent hazard of mine dust and the performance bottlenecks of existing protective materials, this study developed a polylactic acid (PLA)/polydimethylsiloxane (PDMS)-polyvinyl butyral (PVB) core-shell structured nanofiber membrane via coaxial electrospinning technology. A rough and porous core-shell fiber structure was constructed to achieve the synergistic integration of efficient dust filtration, low breathing resistance, and self-cleaning function. The physical-chemical properties and filtration performance of the membrane were systematically investigated through experiments combined with computational fluid dynamics (CFD) simulations. The results show that the optimized PLA-CS12 membrane exhibits a superhydrophobic contact angle of 151.3 degrees, 99.70 % dust filtration efficiency, and a pressure drop of only 120 Pa, alongside superior tensile strength and structural stability over traditional membranes. Self-cleaning tests confirm that coal dust is completely removed by water droplets, while soil degradation verifies near-complete degradation within 5 weeks. CFD simulations further reveal the filtration mechanism and validate the performance advantages. This work proposes a novel core-shell nanofiber membrane that integrates efficient filtration, breathable comfort, and environmental sustainability, offering a promising solution for mine dust protection.

To address coal dust dispersion during open-pit coal mine blasting, a multifunctional dust-suppression material (KXG/AA/HA@TiO2) exhibiting high wettability, excellent water retention, robust consolidation, and prolonged adsorption capability was developed. A porous dust-suppression material was prepared by grafting xanthan gum (XG) onto feather-based keratin through the Maillard reaction, followed by APS-initiated free-radical polymerization to cross-link humic acid (HA) and acrylic acid (AA) and incorporate TiO2, thereby introducing a multiple-hydrogen-bond network. Performance experiments demonstrated that the contact angle between KXG/AA/ HA@TiO2 and coal dust was 20.18 degrees, indicating high water retention at elevated temperatures. The compressive strength of the coal-dust suppression material system reached 5.46 MPa. Microscopic characterization revealed that KXG/AA/HA@TiO2 possesses a three-dimensional network structure with a specific surface area of 40.27 m2/g. In a blasting platform simulation experiment, KXG/AA/HA@TiO2 exhibited a significant dust suppression effect, with an immediate dust suppression rate of 92.65%, and also demonstrated delayed adsorption capacity for coal dust, ultimately achieving a dust suppression rate of 98.37%. Molecular simulations were employed to investigate the intermolecular interactions between the dust suppression material and coal, thereby elucidating the mechanism of dust suppression for the material.

Vibrio and Pseudoalteromonas are widely distributed marine bacteria that exert strong influences on metals. However, how they differentially drive the transition of substrate from corrosion to mineralization remained insufficiently resolved. This study investigates the interfacial reactions on Q235B carbon steel mediated by Vibrio neocaledonicus and Pseudoalteromonas distincta isolated from the South China Sea. V. neocaledonicus promotes interfacial electrochemical activity and pitting corrosion. Whereas, P. distincta facilitates the formation of a CaCO3-dominated biomineralized layer that inhibits pitting corrosion. Both strains generated Fe(III) with concomitant Fe(II) in the early stage, however, P. distincta with secretions formed a composite barrier which helped the mineral deposition. Fluorescence analysis reveals distinct calcium ion aggregation patterns for the two bacterial strains. The clustered V. neocaledonicus captures Ca2+ in suspension to reduce the free Ca2+availability and disfavoring crystallization. While the more dispersive P. distincta acts as the nucleation sites on substrate for Ca2+binding showing strong spatial correspondence. The higher PO43-/HPO42- ratio further promotes CaCO3 deposition.These findings reveal interfacial nucleation permissiveness and free Ca2+ availability as key factors between corrosion and mineral protection. It provides the mechanistic insights for MIC risk and marine steels protection strategies.

The fire and reignition problems caused by thermal runaway of lithium iron phosphate (LiFeO4 & sdot;LFP) batteries seriously threaten the safety of energy storage, and it is necessary to study green materials with the ability of rapid fire extinguishing and reignition suppression. In this paper, a thermosensitive nanohydrogel was prepared by physical crosslinking method. The results of micro characterization test show that the material can achieve rapid coverage through gelation triggered by temperature increase, and then reveal the synthesis mechanism. Cone calorimeter tests show that the material exhibits excellent flame retardant performance, in which the peak heat release rate (PHRR) is 37.37 kW/m2, which is 14.42 % lower than that without ammonium polyphosphate (APP). The thermal runaway fire and reignition suppression behavior of 32 Ah LFP batteries with SOC = 100 % were studied. The results show that the hydrogel solution with the concentration of 7 wt% shows the best performance in fire extinguishing. Compared with the pure water group, the maximum temperature of the battery 119.4 degrees C decreases by 20.51 %; The maximum flame temperature was 301.4 degrees C, which decreased by 64.49 %; The fire extinguishing time is 28 s, which is shortened by 47.2 %. The hydrogel with a concentration of not less than 5 wt% could achieve the function of reignition suppression. The above results show that this study provides an integrated solution for lithium-ion battery fire prevention and control, which is rapid fire extinguishing, stable reignition suppression, and provides scientific guidance and technical support for the safety prevention and control of energy storage system.

Tackling the challenges of dust pollution, prevention and control in the continuous digging working face, adoption of the CFD-DEM method to carry out numerical simulation research on the press-in ventilation and dust removal technology, pressure-extraction hybrid ventilation and dust removal technology, turbulent air curtain control and dust removal technology of attached-wall air pipe, and put forward the large section of full area closed air curtain control dust removal technology. The results indicate that: Although three technologies play a certain effect. However, current solutions remain inadequate for effective dust suppression in large-cross-section continuous excavation faces. Compared with the above three technologies, the large section of full area closed air curtain control dust removal technology to shorten the dust diffusion distance of 55.5 m, 49.7 m, 27.8 m, compared with turbulent air curtain control and dust removal technology of attached-wall air pipe, mean particulate levels throughout the roadway, the cut-off operation area, and the closed area are reduced by 39.1 %, 70.9 %, 78.2 %. Full-area air curtain controls the dust concentration below 20 mg/m3 on the downwind side. The average dust concentration in the area of continuous mining machine driver, shuttle car driver and transfer crusher driver decrease to 54 mg/m3, 15 mg/m3, 5 mg/m3. Similar experimental results show that the errors are all below 5.3 %, further proving that the technology has a significant dust removal effect and provides an innovative solution for the health protection and safe production of the operators in the large cross section continuous digging working face.

A new type of modified zirconium phosphate (MZrP) inhibitor was synthesized by isooctylamine intercalation, and its inhibition effects were evaluated. SEM, EDS, and BET analyses revealed that MZrP was uniformly dispersed on the coal surface and within its internal pore structure, forming a dense layer. This layer significantly reduced the specific surface area, pore volume, and pore size, while enhancing its physical inhibition of oxygenation and moisture retention. TG-DTG and ESR analyses demonstrated that the critical temperature and maximum heat loss rate temperature of the inhibited coal samples were 9.6 °C and 21.9 °C higher than those of the raw coal, respectively. Additionally, the mass loss and free radical concentration of the inhibited samples were consistently lower than those of the raw coal. The thermal decomposition of MZrP into phosphoric acid and its derivatives further enhanced its chemical inhibition by deactivating free radicals. Temperature-programmed experiments showed that the gas production concentrations of the inhibited coal samples were lower than those of the raw coal, while the cross-point temperature increasing by 20.6 °C. The inhibition rate exhibited a decreasing, increasing and decreasing trend with the incremental increase in coal temperature, with an average inhibition rate of 63.9

Non-metal-doped C2N monolayer-supported single-atom catalysts (SACs) exhibit highly efficient bifunctional catalytic performance for the oxygen evolution/reduction reaction (OER/ORR), demonstrating significant potential for applications in metal-air batteries and fuel cells. Among them, Te@C2N at the d2 site shows an exceptionally low OER overpotential of only 0.436 V while maintaining favorable ORR activity. Meanwhile, S@C2N and As@C2N at the d1 site demonstrate OER overpotentials of 0.782 V and 0.786 V respectively, while maintaining excellent ORR catalytic performance. Through density functional theory (DFT) calculations, we established a volcano-type relationship between catalytic activity and Delta GO. Furthermore, random forest machine learning (ML) modeling revealed outer electron count and electronic energy as key catalytic descriptors, enabling efficient Delta GO prediction. Our work uncovers the fundamental basis of bifunctional electrocatalysis in SACs and demonstrates a computational design framework integrating DFT with ML.