A microscopic mechanism study of the effect of binary surfactants on the flotation of Wiser bituminous coal.

Investigating surfactant effects on the floatability of Wiser bituminous coal holds significant importance in improving coal cleanliness and utilization value. Using density functional theory and molecular dynamics simulation methods, this study constructed models of Wiser bituminous coal and examined the impact of different surfactants, including the anionic surfactant sodium dodecyl benzene sulfonate, the cationic surfactant hexadecyl trimethyl ammonium bromide (CTAB), and the non-ionic surfactant fatty alcohol ethoxylated ether. The focus was on investigating the charge distribution characteristics of these molecules and the modifying effect of binary surfactants on the hydrophobicity of bituminous coal. Results revealed that the maximum electrostatic potential was concentrated near oxygen/nitrogen/sulfur-containing functional groups like sulfonic acid groups, quaternary ammonium cations, ethylene oxide, hydroxyl groups, carboxyl groups, and sulfur bonds. These functional groups exhibited a propensity for accepting/delivering electrons to form hydrogen bonds. Among the surfactants tested, CTAB revealed the slightest difference in frontier orbital energy, measuring 3.187 eV, thereby demonstrating a superior trapping ability compared with the other two surfactants. Adsorption reactions within the system were determined to be spontaneous, with over 60% of the interaction force attributed to electrostatic forces. Moreover, the repulsive force magnitude with water molecules followed the trend: sulfonate group (2.20 Å) < ethylene oxide (2.43 Å) < quaternary ammonium cation (2.57 Å), indicating more excellent water repellency of CTAB. Findings showed that CTAE binary surfactants proved most effective in modifying the hydrophobicity of bituminous coal. This study offers valuable insights into reducing waste, pollution, and resource wastage.

Structural characterization and macromolecular structure construction of non-caking coal in Chicheng Mine.

Given that coal is not a homogeneous substance, it is of great significance to identify and quantify the structural characteristics thereof for comprehensive analysis. In this paper, the non-caking coal in Chicheng Coal Mine was selected as the research object. The C, H, O, N, and S contents in the coal samples were obtained by proximate/ultimate analysis experiments. The structural characteristics of aromatic, aliphatic hydrocarbons, and oxygen-containing functional groups in the experimental coal samples were obtained by Fourier transform infrared spectroscopy (FT-IR) experiments. X-ray photoelectron spectroscopy (XPS) experiments were performed to obtain the occurrence state of N and S elements in coal samples. Nuclear magnetic resonance (13C NMR) experiments provided the carbon skeleton structural information of the coal samples. The macromolecular structure model of non-caking coal in the Chicheng Coal Mine was established on this basis. The molecular formula of non-caking coal in Chicheng Coal Mine was determined to be C207H181O32N3S.The13C NMR-predicted spectrum of the model showed good consistency with the 13C NMR-experimental spectrum obtained from the experiments, providing researchers with reference to the construction ideas and methods of molecular structure models of different coal samples.

Construction and optimization of macromolecular structure model of Tiebei lignite.

Mastering the molecular structure of coal is important for the effective utilization of coal. For a detailed study of the microstructural characteristics of Tiebei lignite, its molecular structure was characterized by elemental analysis, solid 13C nuclear magnetic resonance (13C NMR), Fourier-transform infrared (FT-IR) spectroscopy, X-ray photoelectron spectroscopy (XPS), and X-ray diffraction (XRD). The results showed that the aromatic carbon content of Tiebei lignite was 51.98%, the aromatic carbon structure was mainly composed of benzene and naphthalene, and the ratio of aromatic bridgehead carbon to surrounding carbon Xbp was 0.14. Oxygen existed in phenol, ether, carbonyl, and carboxyl; nitrogen-containing structures mainly existed in the form of pyrrole and pyridine; sulfur mainly existed in thiophene sulfur; and aromatic substitution was mainly in the form of trisubstitution. The molecular formula of the macromolecular structure model of Tiebei lignite was C190H161O57N2, and the 13C NMR spectrum of the model was in good agreement with the experimental results, which fully verified the accuracy of the macromolecular structure model of Tiebei lignite. The construction of a macromolecular structure model of Tiebei lignite is essential to intuitively understand the molecular structure characteristics of Tiebei lignite and to provide theoretical support and guidance for the micromechanism research and prevention of lignite spontaneous combustion and other disasters.

Prediction of the Penetration Radius of Cumulative Blasting.

To improve the efficiency of coal seam gas extraction, the influence characteristics of different factors on the penetration effect of cumulative blasting were determined and the hole spacing was effectively predicted; in this work, we used ANSYS/LS-DYNA numerical simulation software to establish the penetration model of cumulative blasting. Combined with an orthogonal design scheme, the crack radius prediction of cumulative blasting was studied. A prediction model for predicting the fracture radius of cumulative blasting based on three groups of different factors was established. The results showed that the primary and secondary order of factors that affected the fracture radius of cumulative blasting was as follows: ground stress > gas pressure > coal firmness coefficient. The penetration effect decreased with increasing ground stress and decreased with an increase in the gas pressure and coal firmness coefficient. The industrial field test was carried out. The gas extraction concentration increased by 73.4% after cumulative blasting, and the effective crack radius of cumulative blasting was approximately 5.5-6 m. The maximum error of the numerical simulation was 1.2%, and the maximum error of the industrial field test was 6.22%, which proved that the crack radius prediction model of cumulative blasting was correct.

Study on the Occurrence Difference of Functional Groups in Coals with Different Metamorphic Degrees.

In order to quantitatively study the difference in occurrence content of functional groups in coals with different metamorphic degrees, the samples of long flame coal, coking coal, and anthracite of three different coal ranks were characterized by FTIR and the relative content of various functional groups in different coal ranks was obtained. The semi-quantitative structural parameters were calculated, and the evolution law of the chemical structure of the coal body was given. The results show that with the increase in the metamorphic degree, the substitution degree of hydrogen atoms on the benzene ring in the aromatic group increases with the increase in the vitrinite reflectance. With the increase in coal rank, the content of phenolic hydroxyl, carboxyl, carbonyl, and other active oxygen-containing groups gradually decreased, and the content of ether bonds gradually increased. Methyl content increased rapidly first and then increased slowly, methylene content increased slowly first and then decreased rapidly, and methylene content decreased first and then increased. With the increase in vitrinite reflectance, the OH-π hydrogen bond gradually increases, the content of hydroxyl self-association hydrogen bond first increases and then decreases, the oxygen-hydrogen bond of hydroxyl ether gradually increases, and the ring hydrogen bond first significantly decreases and then slowly increases. The content of the OH-N hydrogen bond is in direct proportion to the content of nitrogen in coal molecules. It can be seen from the semi-quantitative structural parameters that with the increase in coal rank, the aromatic carbon ratio fa, aromatic degree AR and condensation degree DOC increase gradually. With the increase in coal rank, A(CH2)/A(CH3) first decreases and then increases, hydrocarbon generation potential 'A' first increases and then decreases, maturity 'C' first decreases rapidly and then decreases slowly, and factor D gradually decreases. This paper is valuable for analyzing the occurrence form of functional groups in different coal ranks and clarifying the evolution process of structure in China.

Molecular Simulation of Methane Adsorption Properties of Coal Samples with Different Coal Rank Superposition States.

Obvious differences exist in the structures of different coal rank coals, resulting in many differences and similarities in the amount of methane (CH4) gas adsorbed by coal and the control mechanism. In this study, we conducted adsorption simulations of three different coal rank coals in the superposition state using the Materials Studio software with simulated temperatures of 293.15, 313.15, and 333.15 K and adsorption pressures ranging from 0 to 10 MPa. We used the grand canonical ensemble Monte Carlo calculation method to calculate and study the adsorption amount, adsorption process, isosteric heat, and diffusion coefficient of CH4 in detail. We found that the adsorption of CH4 by coal samples of three coal rank coals (i.e., anthracite, bituminous coal, and lignite), which were mixed and stacked separately, was concentrated in the effective pores of coal molecules. Their effect on the amount of CH4 adsorption was dominated by the coal samples with more effective pores in the coal molecules. The isosteric heat of the coal samples showed an obvious exponential relationship with the adsorption pressure, and the isosteric heat of coal samples as a nonhomogeneous adsorbent gradually decreased with an increase in adsorption pressure. During the transformation of free-state CH4 into an adsorbed state, we obtained the best adsorption effect for bituminous-lignite superposition-state coal samples, and the diffusion coefficient of CH4 was the lowest.

Study on smoke blocking and thermal radiation attenuation by water curtain in tunnel fire.

A 1:10 scale model tunnel with a length, height and width of 9 m, 0.6 m and 0.8 m, respectively, was set up in this paper. A water curtain system was installed in the model to investigate the effect of water curtain systems on smoke flow and heat propagation. A reduced-scale experimental and theoretical study was carried out by varying the heat release rate of the fire source, the water curtain pressure, and the number of water curtain rows. A series of tests were carried out for various setups to quantify each mechanism of interaction between the water mist and hot smoke, to propose a method for qualitatively analysing water curtain systems blocking the propagation of heat radiation and the flow of smoke from combustion, and to propose a method for predicting heat fluxes. The study found that the pressure of the water curtain, the number of rows, and the heat release rate of the fire source all had an effect on the smoke blocking effect of the water curtain system. This effect decreased as the heat release rate of the fire source increased and increased significantly with the pressure of the water curtain and the number of rows. The smoke blocking effect was quantified using conservation of momentum by establishing a dimensionless parameter R to represent the ratio of water curtain momentum to smoke momentum, as well as the ratio of heat flux before and after the water curtain to represent the smoke blocking capacity [Formula: see text] of the water curtain. The smoke blockage rate [Formula: see text] ranges between 40 and 75%, and the smoke blockage rate increases as the momentum R increases. Finally, in tunnel fires, a predictive model for the attenuation of heat radiation by water curtains has been developed, providing theoretical support for the quantitative study of the smoke and thermal blockage effects of water curtains, which is beneficial to the protection of human life in confined spaces.

Study on prediction of blasting cracking radius of liquid CO2 in coal.

In this study, we sought to improve the efficiency of coal seam gas extraction, master the characteristics of different factors on the liquid carbon dioxide (CO2) phase change blasting cracking radius, and effectively predict the hole spacing. In this study, we used ANSYS/LS-DYNA numerical simulation software to predict the crack radius of liquid CO2 phase change blasting combined with orthogonal design scheme. The results showed that the primary and secondary factors affecting the fracture radius of liquid CO2 phase change blasting were in ground stress, gas pressure, coal firmness coefficient, and gas content. The fracture radius decreased with the increase of in ground stress and decreased with the increase of gas pressure, coal firmness coefficient, and gas content, which was linear. A prediction model for predicting the cracking radius of liquid CO2 phase change blasting based on four groups of different factors was established. Through the double verification of numerical simulation and field industrial test, the cracking radius of liquid CO2 phase change blasting ranged from 2 m to 2.5 m. The maximum error of numerical simulation was 2.8%, and the maximum error of field industrial test was 5.93%.

Simulation of Large-Scale Tunnel Belt Fire and Smoke Characteristics under a Water Curtain System Based on CFD.

Transport belt fires pose a serious threat to the lives of miners. The smoke spread characteristics of transport belt fires are important for the effective construction of underground safety works. In this paper, a water curtain system is added to ventilation to investigate the effectiveness of water spray in blocking fire-induced smoke and heat. Using computational fluid dynamics (CFD) simulations obtained with FDS 6.0.1, full-scale underground belt transport tunnel fire tests are conducted with mechanical ventilation and a water curtain system to obtain smoke spread characteristics, temperature distribution, visibility profiles, and CO distribution. The results show that the addition of a water curtain system can effectively limit temperature and smoke, but high mechanical ventilation velocities are not conducive to the water curtain system, limiting underground tunnel fires. This study found that the mechanical ventilation velocity should be controlled at approximately 0.8 m/s when the water curtain system is on a 100 m beltway. Smoke across the water curtain system area, smoke stratification in the lower layer of the water curtain area is lost, the water curtain system in the lower layer of the tunnel will affect the flow field and temperature field flowing to the fire source, and the blockage effect is the most obvious in the upper layer of the tunnel. The water curtain system reduces the distribution of temperature and CO concentration in the tunnel and rapidly restores visibility. With the addition of the water curtain system, the environment in the restricted area is suitable for occupant evacuation and firefighting, and the system can be considered a viable strategy for tunnel smoke control.

Molecular structure characterization analysis and molecular model construction of anthracite.

Coal is the largest non-renewable energy as well as an important basic energy and industrial raw material. Thus, correctly understanding the molecular structure characteristics of coal has important theoretical value for realizing carbon neutralization. In this work, we clarified the molecular structure characteristics of anthracite, where the organic matter in anthracite was characterized and analyzed by industrial/elemental analysis, FTIR, XPS, XRD and solid 13C NMR. The ratio of bridge carbon to the perimeter carbon of anthracite was 0.38, and the degree of condensation in the aromatic structure was high. Nitrogen in coal primarily exists in the form of pyridine and pyrrole. Based on the information on functional group composition, the carbon skeleton structure, and surface element composition, a molecular structure model of Yangquan anthracite could be constructed, where the molecular formula was C208H162O12N4. This study may serve as a reference for researchers in this field to consult and refer to the construction ideas and methods of molecular structure models of different coal samples.

Propagation and attenuation characteristics of shock waves in a gas-coal dust explosion in a diagonal pipeline network.

In order to obtain the propagation and attenuation characteristics of a shock wave gas-coal dust explosion, a diagonal pipeline network was built to carry out a gas-coal dust explosion experiment. Methane with a volume fraction of 9.5% was mixed with 20 g of coal dust with a particle size of 50 µm. The shock wave attenuation characteristics in the diagonal pipeline network were characterized by the overpressure attenuation coefficient. The results showed that when the shock wave propagated in the diagonal pipeline network, it was offset and superposed multiple times. The overpressure attenuation in diagonal pipes was greater than that in the other pipeline branches. Secondary explosions occurred at all monitoring points. The propagation characteristics of shock waves is less affected by the pipeline network structure when it is close to the outlet of pipeline network. Nonlinear multivariate regression analysis was carried out to analyze the relationship between the overpressure attenuation coefficient and two adjacent monitoring points, the pressure before and after attenuation, and the pipeline angle. The functional relationship was in good agreement with the experiment data.

Research on smoke control for an underground mall fire, based on smoke barrier and mechanical smoke exhaust system.

This study examines smoke spread in an underground mall fire under the composite smoke control mode of a smoke barrier and a mechanical smoke exhaust system. The objective is to optimize the selection of smoke containment and exhaust methods in an underground mall in Fuxin City, China. A Fire Dynamics Simulator was used for numerical simulation to investigate the effects of the sagging height and spacing of smoke barriers on smoke containment, as well as the effects of size, number, and arrangement of smoke vents in the mechanical smoke exhaust system on the effectiveness of smoke exhaust. The results indicated that a smoke barrier with a sagging height of 1 m and a spacing of 5 m was effective in preventing the spread of high-temperature smoke. When the sagging height of the smoke barrier increased to 1.2 m, the smoke barrier effect was comparable to that of a 1 m height barrier. Regarding the mechanical smoke exhaust system, the size of the opening area of the smoke vent had no significant effect on the smoke exhaust effect. The best smoke exhaust effect was achieved when the number of smoke vents was 12. Additionally, the double-row setting of smoke vents was more efficient than the single-row setting. Combining a smoke barrier and a mechanical smoke exhaust system can provide a more effective smoke control compared to either system alone. Comprehensively, considering the effectiveness and economy of smoke containment and exhaust, the optimal combination of smoke containment and exhaust was determined to be a smoke barrier with a sagging height of 1 m and spacing of 5 m, and a mechanical smoke exhaust system with 12 smoke vents in a double-row arrangement.

Experimental study on the explosion characteristics of hydrogen-methane premixed gas in complex pipe networks.

To explore the overpressure evolution laws and flame propagation characteristics in complex pipe networks after the addition of hydrogen to methane, we experimentally studied the explosive pressure wave and flame wave propagation laws for three different premixed gas mixtures with hydrogen-methane concentrations of 0, 10% and 20% when the equivalence ratio was 1. Experimental results indicate that the maximum explosion overpressure of the premixed gas increases with increasing distance from the explosion source, and it shows a gradually decreasing trend. In the complex pipe network, an overpressure zone is formed in the B-E-H and D-E sections of the network. The flame temperature is superimposed with the superimposition of the pressure, showing a trend of first increasing, then decreasing, then increasing, and finally decreasing in the complex pipe network. The flame arrival time increases with increasing distance, and the maximum flame speed shows a decreasing trend. The peak overpressure and maximum flame velocity of the premixed gas under a hydrogen volume fraction of 20% are 1.266 MPa and 168 m/s. The experimental research results could provide important theoretical guidelines for the prevention and control of fuel gas explosions in urban pipe networks.

Study of the influencing factors of the liquid CO2 phase change fracturing effect in coal seams.

To study the influence of different factors on the cracking effect of the liquid CO2 phase transition, the mechanics of coal rock crack extension based on liquid CO2 phase change blast loading were studied. Through the application of simulation software to analyze the influence of coal seam physical parameters (in situ stress, gas pressure, modulus of elasticity and strength of coal) and blasting parameters (fracturing pore size and peak pressure of detonation)on the effect of liquid CO2 phase change cracking, the simulation results showed that the cracking effect of liquid CO2 phase change was positively correlated with the changes in gas pressure, elastic modulus, fracture hole diameter and peak vent pressure, negatively correlated with the variation in situ stress and compressive strength, and nearly independent of the tensile strength. In addition, by using Gray correlation analysis to analyze the influence degree of six main factors on the cracking effect, the calculation results showed that the effect of blasting parameters was greater than that of physical parameters. The main controlling factor that affected the blasting effect was the peak pressure of blasting release. By conducting comparative engineering trials with different blasting parameters, the test results showed that the crack effect of the coal seam was positively correlated with the change in fracture hole diameter and peak venting pressure, which was consistent with the results obtained from the simulation. The experimental results and simulation results for the effective radius of coal seam fracturing were basically consistent, with the error between the two types of results falling below 10%. Therefore, the reliability of the blasting numerical model was verified. In summary, the research results provide theoretical guidance for applying and promoting liquid CO2 fracturing technology in coal mines.

Influence of acetylene on methane-air explosion characteristics in a confined chamber.

To study the impact of acetylene on methane explosions, the safe operation of coal mines should be ensured. In this paper, a 20 L spherical tank was used to study the explosive characteristics of acetylene-methane-air mixture. In addition, the GRI-Mech3.0 mechanism was used to study the chemical kinetic mechanism for the mixed gas, and the effect of adding acetylene on the sensitivity of methane and the yield of free radicals was analysed. The results show that acetylene can expand the scope for methane explosion, lower the lower explosion limit, and increase the risk of explosion. Acetylene increases the maximum explosion pressure, laminar combustion rate and maximum pressure rise rate for the methane-air mixture while shortening the combustion time. Three combustion modes for the acetylene-methane-air mixture were determined: methane-dominated, transitional and acetylene-dominated combustion modes. Chemical kinetic analysis for the mixed gas shows that as the volume fraction of acetylene increases, the generation rate for key free radicals (H*, O* and OH*) gradually increases, thereby increasing the intensity of the explosive reaction. The results from this research will help formulate measures to prevent coal mine explosion accidents.

Optimization of mine ventilation network feature graph.

A ventilation network feature graph can directly and quantitatively represent the features of a ventilation network. To ensure the stability of airflow in a mine and improve ventilation system analysis, we propose a new algorithm to draw ventilation network feature graphs. The independent path method serves as the algorithm's main frame, and an improved adaptive genetic algorithm is embedded so that the graph may be drawn better. A mathematical model based on the node adjacency matrix method for unidirectional circuit discrimination is constructed as the drawing algorithm may not be valid in such cases. By modifying the edge-seeking strategy, the improved depth-first search algorithm can be used to determine all of the paths in the ventilation network with unidirectional circuits, and the equivalent transformation method of network topology relations is used to draw the ventilation network feature graph. Through the analysis of the topological relation of a ventilation network, a simplified mathematical model is constructed, and network simplification technology makes the drawing concise and hierarchical. The rapid and intuitive drawing of the ventilation network feature graphs is significant for optimization of the ventilation system and day-to-day management.

Experimental Study on Mix Proportion Parameter Optimization of Cement Anchoring Material.

To prevent major deformation of surrounding rock and improve the stability of unstable rock mass, this study optimized the ratio of cement anchoring material based on the orthogonal design method and rock mechanics tests. Using the six influencing factors of coal ash content, sodium silicate content, ettringite content, naphthalene sulfonate content, water-cement ratio, and sand-cement ratio, a total of 18 sets of material matching schemes was designed. Compressive strength and pull-out force tests were carried out. The results are as follows: the compressive strength of the test piece between 43 and 55 MPa; the bond stress between the bolt and the anchoring agent range is from 103 to 136 kN; and the adhesion stress between the anchoring agent and the rock masses range is from 76 to 112 kN. The main order and degree of influence of various factors affecting the bond stress and the adhesion stress of the anchoring material were determined by range analysis and analysis of variance. The results showed that the amount of coal ash had a clear controlling effect on the bond stress, and the water-cement ratio, sand-cement ratio, and sodium silicate dosage had a significant influence on the bond stress. Moreover, the amount of sodium silicate had the greatest influence on the adhesion stress, and the water-cement ratio had the second largest influence on the adhesion stress. The amount of naphthalene sulfonate had the least influence on the adhesion stress. The above experimental data and results were subjected to multiple linear regression analyses, and the empirical equations of the mechanical indexes of the test pieces and the proportion parameters of the anchoring materials were obtained to guide the engineering support design. The engineering application showed that the optimized anchorage material could be applied to further improve the safety of the surrounding rock anchoring system.