Similar experimental study on diffusion and distribution of diesel exhaust in confined space of a coal mine.

In the confined space of the underground coal mine, which is dominated by transportation lanes, explosion-proof diesel-powered trackless rubber-wheeled vehicles are becoming the main transportation equipment, and the exhaust gas produced by them is hazardous to the health of workers and pollutes the underground environment. In this experiment, a similar test platform is built to study the effects of wind speed, vehicle speed, and different wind directions on the diffusion characteristics of exhaust gas. In this paper, CO and SO2 are mainly studied. The results show that the diffusion of CO and SO2 gas is similar and the maximum SO2 concentration only accounts for 11.4% of the CO concentration. Exhaust gas is better diluted by increasing the wind speed and vehicle speed, respectively. Downwind is affected by the reverse wind flow and diffuses to the driver's position, which is easy to cause occupational diseases. When the wind is a headwind, the exhaust gases spread upwards and make a circumvention movement, gathering at the top. When the wind speed and vehicle speed are both 0.6 m/s, the CO concentration corresponds to the change trend of the Lorentz function when the wind is downwind and the CO concentration corresponds to the change trend of the BiDoseResp function when the wind is headwind. The study of exhaust gas diffusion characteristics is of great significance for the subsequent purification of the air in the restricted mine space and the protection of the workers' occupational health.

Impact of N-Methyl-2-pyrrolidone Erosion on Surface Functional Groups and Pore Evolution in Coals of Different Ranks.

In low-permeability coal reservoirs, utilizing the organic solvent N-methyl-2-pyrrolidone (NMP) has emerged as an effective approach to improving the coal pore structure and enhancing coalbed methane productivity. However, the exact mechanisms of how solvent erosion alters functional groups and develops pores remain incompletely understood. This study utilized Fourier transform infrared spectroscopy and low-field nuclear magnetic resonance to assess the impact of NMP on the functional groups and pore structures of lignite, bituminous coal, and anthracite. The results indicate that a 6 h treatment with NMP led to an increased proportion of oxygen-containing functional groups in all coal samples, accompanied by a decrease in hydroxyls and aliphatic hydrocarbons. The aromaticity of the coal samples was enhanced to varying degrees, most notably for lignite. In terms of pore modification, the porosity of lignite and bituminous coal increased by 84.82 and 43.56%, while anthracite experienced a porosity increase of 3.04%, indicating a diminished effectiveness of NMP as the coal rank increased. These findings suggest that NMP selectively dissolves specific organic molecules in coals, thereby enhancing pore connectivity and promoting a transition from micro- to meso- and macropores. These findings highlight the potential of NMP in enhancing coalbed methane production and advance our understanding of the mechanisms behind solvent erosion.

Study on Inerting Characteristics of Gas Coal by the Inerting Concentration and Ratio of an Inert Gas Mixture.

To study the effect of the inert gas mixture concentration and ratio on the spontaneous combustion reaction of gas coal, a combination of experimental research and theoretical analysis was used to study the pyrolysis and combustion kinetics characteristics of gas coal and further explore the influence of inert gas on the inerting characteristics of gas coal. Research has shown that during the entire heating reaction process of gas coal, the concentration of inert gases has little effect on the drying and desorption stages, but there is a significant lag phenomenon in the characteristic temperature points of active decomposition and degassing stages. Under the same concentration of mixed inert gases, the higher the relative percentage content of CO2, the more significant the change and the better the inhibitory effect. The higher the volume fraction of the inert gas, the higher the cross-temperature point. In the late stage of rapid heating of coal samples, when the volume fraction of inert gas is 40%, the rate of temperature rise increases rapidly. In a pure air environment, CO begins to be released at 80 °C, and when the temperature rises to 130 ∼ 140 °C, the concentration of CO begins to rapidly increase. Under inert conditions, the higher the relative percentage content of inert gas is, the higher the temperature point at which CO is generated. When the experimental conditions are a mixture of 30% N2 and 10% CO2 as inert gas, the optimal inerting effect has been achieved. The research results provide a theoretical basis for determining the optimal ratio of inert gas inerting concentrations to achieve fire prevention and extinguishing.

Research on safety supervision and management system of China railway based on association rule and DEMATEL.

Safety management is a key issue in the railroad industry that needs to be continuously focused on. And it is essential to study causes of accidents for preventing accidents. However, there is a limited academic discussion on the systematic study of organizations and accidents, as well as their safety-related interactions and accidents, as opposed to human-caused disasters. Thus, the model of China's railway safety supervision and management system by sorting out the existing organizations involved in management in China is established in this paper. Firstly, social forces and auxiliary enterprises are specifically added to the model. And then, the relationship between organizations and accidents, as well as the relationship between safety interactions among organizations and accidents are explored by analyzing 224 accident reports, which led to 4 principles for accident prevention. Finally, based on these principles, measures to secure organizational nodes, as well as measures to promote safe interactions among organizations are proposed. The results showed that: (1) China Railway node is not only the most critical node in the safety supervision and management system but also the most vulnerable to the influence of other nodes. (2) The accident occurred due to the simultaneous occurrence of an accident at the China Railway node and the social force node. (3) When there are often safety risks in auxiliary enterprises and social forces simultaneously, the government's management is likely to be defective. The findings in this study can provide helpful references not only for improvement of safety management system structure and supervision and management mechanism but also for the formulation of safety supervision and management policies in China and other countries.

Research on Resistance to Water Intoxication of LaCoO3 Doped with Fe at B Sites.

In this paper, the methods of spin polarization density functional theory and vasp software package are used to simulate the adsorption of H2O molecules on the surface of LaCoO3 and La2CoFeO6(001). It was found that when Fe was doped at B-sites, the adsorption energy changed from -3.7493 eV at CoO2 to -2.5397 eV at CoFeO4, which decreased by about 1/3. Meanwhile, the change of electric charge and the amount of electron transfer decreased overall. The results indicated that Fe doping could inhibit the adsorption of H2O by perovskites and thus hinder the next toxic reaction. Therefore, this paper will lay a certain theoretical foundation for the study of perovskite anti-poisoning mechanism and provide a meaningful reference for further experimental research.

Study on Multifield Migration and Evolution Law of the Oxidation Heating Process of Coal Spontaneous Combustion in Dynamic Goaf.

To study the dynamic evolution law of the oxidation heating process of coal spontaneous combustion in the goaf during the advancing process of the working face, a dynamic model of oxidation heating of coal spontaneous combustion in the goaf was established on the basis of deformed geometry. Through numerical simulation research, the evolution and migration laws of seepage field, oxygen concentration field, temperature field, and high-temperature area of coal spontaneous combustion in the goaf during the advancement of the working face was obtained. The results indicate that the distribution of the bulking coefficient, porosity, and permeability of the falling coal and rock mass in the goaf is nonuniform. They are relatively large in the area near the working face and the inlet and return airway and remain relatively unchanged with the advancement of the working face, but they are constantly decreasing in the location of the gob in the middle and deep. The oxygen concentration in the goaf presents an asymmetrical distribution. The oxygen concentration distribution area on the inlet side is wider than that on the return air side. At the same depth of the goaf, the oxygen concentration gradually decreases from the inlet side to the return air side; after the advancement distance exceeds 200 m, the air leakage in the goaf basically disappears, and the oxygen concentration decreases to zero. The high-temperature area of coal spontaneous combustion oxidation in the goaf was mainly concentrated on the air inlet side and extended toward the return air side. The advancing speed has a significant effect on the oxidation heating process of coal spontaneous combustion in the dynamic goaf. Under the same propulsion distance, when the advancing speed is 6 m/day, the highest temperature in the goaf is about 40 °C, and when the advancing speed is 2 m/day, the highest temperature in the goaf is as high as 120 °C. The smaller the advancing speed, the higher the heating rate of the goaf and the closer the high-temperature area to the working surface. The higher the advancing speed, the lower the temperature of the high-temperature point of the goaf and the greater the depth of the high-temperature point of the high temperature area; when the advancing speed is 2 m/day, the highest temperature point in the goaf is 70 m away from the working face, whereas when the advancing speed is 6 m/day, it reaches 174.6 m.

Experimental Study on Catalytic Action of Intrinsic Metals in Coal Spontaneous Combustion.

In order to study the effect of inherent metals in coal on spontaneous combustion, Hongmiao lignite and Hongqingliang long-flame coal were demineralized by hydrochloric acid, the raw coal and demineralized coal were characterized by Fourier transform infrared spectrometry, X-ray diffraction, and synchronous thermal analysis experiments, and the corresponding ash content was detected by inductively coupled plasma mass spectrometry. The results show that the effect of demineralization on the volatile matter of low-rank coal is small, and the change of crystallite structure is not significant. The removed parts are mainly water-soluble salts and soluble minerals, such as carbonates and metal ions, that are not tightly bound to the organic matter of coal structure. The removed metal elements are mainly alkali metals Na and K, alkaline earth metals Ca, Mg, Sr, and Ba, and transition metals Fe, Mn, Ti, and so forth. The temperatures corresponding to the end of weight loss, ignition, and maximum weight loss rates were elevated on the thermogravimetric curves of the demineralized coal samples. The heat absorbed by evaporation of water in coal and the heat released by oxidation and combustion of coal are decreased to different degrees, indicating that the spontaneous combustion tendency of coal after demineralization is reduced, and alkali metal, alkaline earth metals, and transition metals in coal have a catalytic effect on spontaneous combustion of coal. After adding the metal chelating agent ethylenediaminetetraacetic acid (EDTA), the apparent activation energy decreased by 33.08 and 2.42%, respectively. EDTA and the alkali metal, alkaline earth metal, or transition-metal ions formed a stable chelate in coal. The catalytic activity of metals is weakened or even lost, thereby inhibiting spontaneous combustion of coal, and verifying the catalytic effect of internal metals in coal on the spontaneous combustion of coal.

Experimental Study on the Properties of Gas Diffusion in Various Rank Coals under Positive Pressure.

A kind of closed mining and nonventilation working face is proposed, which provides a possibility for eliminating coal mine accidents and extracting high-purity gas. During mining, a confined space above normal pressure is formed in the face. Geological conditions cause significant differences in the physicochemical properties of coal and affect the occurrence and migration of gas in coal seams. The pore structures of five coal samples were obtained by mercury injection and low-temperature nitrogen adsorption. The self-made positive pressure desorption experimental device was used to conduct isothermal desorption experiments under different environmental pressures. An extended Langmuir model was proposed to carry out regression analysis on the curve of positive pressure desorption with time. The effect of coal pore structure on gas diffusion properties was discussed. The results indicate that the development degree of micropores in coal determines the amount of gas adsorption. With the increase of coal rank, both the ultimate desorption quantity and desorption rate first decrease and then increase. The positive pressure enhances the concentration of methane outside the coal and inhibits methane diffusion. With an increase of positive pressure, the desorption capacity of the high-rank ZG was significantly inhibited, and the desorption limit and initial desorption rate decreased by 15.80-44.54 and 16.92-47.93%, respectively. The diffusion coefficient of the middle-rank XS has the greatest decrease rate of 1.56-18.05%. The pore structure of coal is the essential reason that affects methane diffusion.

Promoting the mechanism of OMS-2 for gas adsorption in different K+ concentrations.

Catalytic combustion technology is an efficient and green method to deal with low concentration methane. Gas adsorption over the catalyst surface is a key step in the catalytic combustion process, which has attracted much interest. In this work, the first-principles density functional theory calculation method has been applied to explore the adsorption processes of CH4 and O2 molecules on the surface of cryptomelane type manganese oxide octahedral molecular sieves (OMS-2). In addition, the effect of K+ concentration in the OMS-2 tunnel on the adsorption of the two gaseous molecules has also been investigated. The results of adsorption energy and structural characteristics show that the adsorption energies of CH4 and O2 molecules over the catalyst surface are favorable. Adsorption sites of CH4 are the K+ and O sites, among which the K+ site is the most stable adsorption site. In addition, Mn sites are favorable for adsorbing O2 molecules. The interactions between the catalyst and the adsorbed CH4 and O2 are enhanced with the increasing tunnel potassium ions. It should be noted that with the increasing strength of the adsorption energies, equilibrium distances from the two gaseous molecules to the active sites become shorter and the bond lengths of C-H and O-O bonds become longer. Moreover, the adsorption sites of CH4 on the catalyst surface increase with the increasing K+ concentration. Bader charge and cohesive energy calculations reveal that the tunnel K+ can balance charges and help strengthen the structural stability of OMS-2. Interestingly, the electronegativity of the catalyst has been altered after introducing K+, which leads to better adsorption of gaseous CH4 and O2. The microscopic mechanism of the effect of K+ concentration on the adsorption of CH4 and O2 over the catalyst surface paves the way for further deciphering the mechanism underlying the catalytic oxidation process and helps design more efficient catalysts for methane utilization.

Molecular Simulation of the Effects of Cyclic Organic Compounds on the Stability of Lccbm Hydrates.

CH4 can be separated from low-concentration coal bed methane (LCCBM) by using the hydrate-based gas separation (HBGS) method. To study the contribution of different cyclic organic compounds to the separation of CH4 in LCCBM, an LCCBM hydrate model was constructed. Based on the Monte Carlo and molecular dynamics theory, we simulated the effect of three cyclic organic compounds-cyclopentane (CP), cyclopentanone (CP-one), and cyclopentanol (CP-ol)-on the stability of the LCCBM hydrate at P = 2 MPa, various temperatures, and discussed the structural stability of the hydrate in depth in terms of final snapshots, radial distribution function, mean square displacement, diffusion coefficient, and potential energy change. The results showed that for the CH4-N2 LCCMM gas mixture, CP showed the best facilitation effect compared to the other two cyclic compounds by maintaining the stability of the LCCBM hydrate well at T = 293 K. The promotion effect of CP-one is between CP and CP-ol, and when the temperature increases to T = 293 K, the oxygen atoms in the water molecule can maintain the essential stability of the hydrate structure, although the orderliness decreases significantly. Moreover, the structure of the hydrate model containing CP-ol is destroyed at T = 293 K, and the eventual escape of CH4 and N2 molecules in solution occurs as bubbles. The research results are important for further exploration of the mechanism of action of cyclic promoter molecules with LCCBM hydrate molecules and promoter preferences.

Molecular Simulation on Competitive Adsorption Differences of Gas with Different Pore Sizes in Coal.

Micropores are the primary sites for methane occurrence in coal. Studying the regularity of methane occurrence in micropores is significant for targeted displacement and other yield-increasing measures in the future. This study used simplified graphene sheets as pore walls to construct coal-structural models with pore sizes of 1 nm, 2 nm, and 4 nm. Based on the Grand Canonical Monte Carlo (GCMC) and molecular dynamics theory, we simulated the adsorption characteristics of methane in pores of different sizes. The results showed that the adsorption capacity was positively correlated with the pore size for pure gas adsorption. The adsorption capacity increased with pressure and pore size for competitive adsorption of binary mixtures in pores. As the average isosteric heat decreased, the interaction between the gas and the pore wall weakened, and the desorption amount of CH4 decreased. In ultramicropores, the high concentration of CO2 (50-70%) is more conducive to CH4 desorption; however, when the CO2 concentration is greater than 70%, the corresponding CH4 adsorption amount is meager, and the selected adsorption coefficient SCO2/CH4 is small. Therefore, to achieve effective desorption of methane in coal micropores, relatively low pressure (4-6 MPa) and a relatively low CO2 concentration (50-70%) should be selected in the process of increasing methane production by CO2 injection in later stages. These research results provide theoretical support for gas injection to promote CH4 desorption in coal pores and to increase yield.

Effect of Water Evaporation on the Inhibition of Spontaneous Coal Combustion.

Spontaneous coal combustion is the primary cause of coal mine fires. During the production process, spontaneous coal combustion in the goaf is often affected by air leakage, which weakens or annuls the effect of inhibitors and leads to secondary oxidation. However, the action mechanism of inhibitors on secondary oxidation spontaneous coal combustion remains unclear. Thus, this study analyzes the influence of moisture evaporation on the performance of a high-water-content physical inhibitor (HWPI) using the Carbolite temperature-programmed experiment, differential scanning calorimetry, scanning electron microscopy, and a MINI MR test. The results demonstrate that as the moisture content of the inhibitor decreased, after being treated with the HWPI and drying for 24 h, the concentrations of O2, CO, and CO2 were found to be lower than the gas concentration of raw coal, which showed that although the moisture content is reduced, the treated coal sample still has a lower spontaneous combustion tendency than the raw coal. The apparent activation energy was reduced, and the heat absorption per unit time decreased, which eventually weakened or annulled the effect of the HWPI. Future research should further improve existing inhibitor types to reduce the impact of secondary oxidation on spontaneous coal combustion caused by water evaporation.

Molecular Simulation of the Adsorption Characteristics of Methane in Pores of Coal with Different Metamorphic Degrees.

In order to study differences in the methane adsorption characteristics of coal pores of different metamorphic degrees, 4 nm pore structure models based on three typical coal structure models with different metamorphic degrees were constructed. Based on the molecular mechanics and dynamics theory, the adsorption characteristics of methane in different coal rank pores were simulated by the grand canonical Monte Carlo (GCMC) and molecular dynamics methods. The isothermal adsorption curve, Van der Waals energy, concentration distribution, and diffusion coefficient of methane under different conditions were analyzed and calculated. The results showed that at the same pore size, the adsorption capacity of CH4 is positively correlated with pressure and metamorphic degree of coal, and the adsorption capacity of CH4 in high metamorphic coal is more affected by temperature. The relative concentration of CH4 in high-order coal pores is low, and the relative concentration at higher temperature and pressure conditions is high. The CH4 diffusion coefficient in high-rank coal is low, corresponding to the strong Van der Waals interaction between CH4 and coal. The research results are of great significance for further exploration of the interaction mechanism between CH4 and coal with different metamorphic degrees and can provide theoretical support for the selection of gas extraction parameters.

Study on the characteristics of nitrogen dioxide adsorption and storage of coal residue in coal-fired power plants in goaf.

In order to realize the storage of the residual coal in the goaf on the flue gas of the power plant, the adsorption characteristics of nitrogen dioxide in the flue gas of the power plant were studied. The Gaussian09 was used to study the adsorption process of NO2 molecules on coal at the density functional (DFT) B3LYP/6-311G level, and the model of NO2 adsorption by coal was established. Different quantities were obtained using orbital energy changes and molecular bond length changes. According to the principle of molecular adsorption, the adsorption of NO2 by coal is considered to be physical adsorption with endothermic heat. On the basis of simulation, using self-organized experimental devices, the single-component NO2 gas and the simulated coal-fired power plant flue gas were introduced into anthracite, bituminous coal and lignite. In single-component adsorption, the adsorption of NO2 by lignite increases with time. The time to reach equilibrium is related to the properties of the coal itself. In the process of simulated flue gas adsorption, the order of the adsorption amount of coal to flue gas is CO2 > NO2 > N2 > O2. In the simulated flue gas, coal is easy to absorb NO2 and CO2, and the competition between gases reduces the frequency of contact between NO2 and the coal surface. Simulation and experimental results show that coal has obvious adsorption characteristics for NO2, and it is feasible for the residual coal in the goaf to adsorb NO2 in the flue gas of power plants.