Increase In Coal Rank Research Articles

Heat transfer-deformation characteristics and fracture damage analysis during LN2 freeze-thaw process in different rank coals

Exploring the heat transfer and deformation characteristics of coal bodies of different coal ranks during the freeze-thaw process is of significant importance for analyzing the fracture mechanism under the effect of liquid nitrogen (LN2). This experiment targets lignite, bituminite, and anthracite under both saturated and dry conditions. A real-time temperature-strain monitoring system was employed to observe the heat transfer and deformation characteristics of coal samples with different ranks throughout the freeze-thaw cycle. Additionally, a nuclear magnetic resonance system was utilized to examine the characteristics of pore damage before and after fracturing. The findings reveal: (1) During the freeze-thaw process, the absolute value of the temperature evolution rate for dry coal samples shows a negative correlation with coal rank, indicating a close link between temperature diffusion and intrinsic coal properties like oxygen content and porosity. (2) For saturated coal samples, the absolute value of the temperature change rate during freezing decreases as the coal rank increases, with the opposite trend observed during thawing. The phase change effect of water in fractures during freezing can enhance internal temperature diffusion in the coal body, while it acts as an inhibitor during thawing. (3) Based on the trend of strain fluctuations, the coal body deformation process during the freeze-thaw cycle can be segmented into seven stages, summarizing the general mechanisms of deformation failure. (4) Under saturated conditions, the amplitude of elastic deformation for each sample is negatively correlated with coal rank, with the sequence for dry coal samples being bituminite > anthracite > lignite. (5) The formation of a sealed space at the beginning of freezing is identified as a necessary condition for deformation during the freeze-thaw process, with the formation and strength of the sealed space depending on the temperature diffusion rate, moisture content, and inherent properties of the coal sample.

The Influence of Coal Lithotype and Metamorphism on the Development Characteristics of Pore and Fracture in Coalbed Methane Reservoir in Ordos Basin and Qinshui Basin

To study the characteristics of pores and fractures development in coalbed methane reservoir controlled by coal lithotype and metamorphism, a total of 26 coals from 16 coal mines in the Ordos Basin and Qinshui Basin were tested for kerogenic components, scanning electron microscopy, mercury intrusion experiments, low‐temperature nitrogen adsorption experiments, and Fourier transform infrared spectroscopy, which summarized and analyzed the coal lithotype and metamorphism constraints on the development of pores and fractures and came to the following conclusions: At the early stage of coalification, with the aliphatic hydrocarbon chains in coals are gradually shortened, and the branched chains and oxygen‐containing functional groups are continuously shed and reduced, resulting in asphaltenes filling the pores, which leads to an overall decrease in the porosity of coal and an increase in the inhomogeneity of the pore structure; at the transition stage of coals to high maturity, asphaltenes in coal are gradually reduced, the filling effect is reduced, aromatic lamellae are continuously oriented, and aromatic rings are continuously condensed. In the transition stage of coal to high maturity, the filling effect decreases, the aromatic lamellae keep orienting and arranging, and the aromatic rings keep condensing, which makes the porosity, pore volume, and specific surface area of coal rebound, and the nonhomogeneity of pore structure weakens; the density of microfracture decreases with the increase of coal rank, which may be the effect of compaction and asphaltene effect; the mirror group in coal is favorable to the development of pore fracture, while the inert group is opposite; the density of microfracture is positively correlated with the content of vitrite and vitrinertite, and negatively correlated with the content of inertite. The higher the content, especially the content of microscopic coal, the more developed the microfractures.

Experimental investigation of gas diffusion kinetics and pore-structure characteristics during coalbed methane desorption within a coal seam

The desorption-diffusion properties of coalbed methane (CBM) are not only the theoretical basis for investigating gas outburst hazards in a coal mine, but also impose a non-negligible impact on CBM recovery performance. In this paper, the pore structure of coal with five different metamorphism degrees was qualitatively and quantitatively characterized with the scanning electron microscopy (SEM) and low-temperature nitrogen gas adsorption (LTNGA) measurements. The isothermal methane ad/desorption experiments were performed with four initial gas desorption pressure scales. Subsequently, the matching degree between eight empirical correlations (ECs) and the measured methane desorption data was determined, and the methane diffusion coefficient (Dfg) was numerically calculated combining with an FGDG (free gas density gradient) diffusion model. Importantly, we evaluated and discussed the sensitivity of pore structure parameters, initial gas desorption pressure, and volatile fraction to Dfg. The results show that pore density distribution differs among coal samples and the pore structure, especially the micropores, is developed better in high-rank coals than in low- and medium-rank ones. Initial gas release velocity increases with an increase in coal rank and decreases negatively with the increasing particle size in an exponential manner. Among the eight ECs, EC-VIII can be applied to more accurately describe gas desorption process during the whole time scale, and its correlation coefficient with the measured data is larger than 0.9900. Dfg increases with an increase in pore volume and specific surface area (SSA), and it is negatively correlated with the average pore diameter. Additionally, Dfg exhibits an asymmetric U-shaped pattern with an increase in the volatile fraction, which is mainly related to the switch between the dominant roles of mesopores and micropores during coal metamorphism. At a lower volatile fraction, the diffusion coefficient is more sensitive to micropores, while, at a higher volatile fraction, mesopores contribute more to the diffusion coefficient.

Study on molecular structure characteristic and optimization of molecular model construction of coal with different metamorphic grade

To investigate the structural properties of coal molecules with different degrees of metamorphism, in this study, we used Fourier transform infrared spectroscopy (FT-IR), X-ray photoelectron spectroscopy (XPS), X-ray diffraction (XRD), and solid-state nuclear magnetic resonance carbon spectroscopy (13C NMR) to investigate the structural properties of three coal molecules with different degrees of metamorphism and finally constructed and optimized the coal molecular model. The experimental results showed that with the deepening of the deterioration degree, the proportion of oxygen-containing functional groups in the coal molecules was gradually reduced, the long fatty chains were shortened and reduced, and the aromaticity was enhanced. With increasing coalification, pyridine nitrogen and thiophene sulfur are becoming important components of the nitrogen- and sulfur-containing organic matter in coal. Coal metamorphism promotes the aromatization and condensation degree increase of coal molecular structure, which makes the coal molecular structure evolve into a microcrystalline structure with higher order degree. With this increase of coal rank, the carbon ratio around the bridge (XBP) increased from 0.12 to 0.47. The low-rank coal was dominated by benzene rings with low polymerization degree, and the high rank coal was dominated by aromatic structures, such as tetracene with a high degree of polymerization. The molecular formula of lignite finally constructed was C219H159O21N3, that of coking coal was C235H164O7N4S, and that of anthracite was C286H108O5N4S. The coal molecules constructed in this study provide a theoretical basis for the study of the molecular structure properties of coal with different degrees of metamorphism.

Thermodynamic energy change and occurrence mechanism of multiple fluids in coal reservoirs

Systematic understanding of the occurrence mechanism of multiple fluids in coal reservoirs is the basis for efficient development of coalbed methane (CBM). In this study, the adsorption capacity, adsorption potential and adsorption heat data of coal samples of different metamorphic degrees under single/multi components isothermal adsorption were obtained through isothermal adsorption equipment and the atomic force microscopy (AFM). The adsorption potential energy and electric potential energy were innovatively combined to expound the characteristics of the thermodynamic energy change in coal reservoirs, and the occurrence mechanism of multiple fluids in coal reservoirs were discussed. It is found that: (a) the adsorption amount of these two gases decreases first and then increases with the increase of coal rank in both single-phase adsorption and competitive adsorption. (b) CO2 shows superior adsorption in comparison to CH4. The larger the proportion of a certain component in the mixed gases system, the better this component's adsorption performance. (c) The adsorption potential of the two gases is not affected by temperature, and with the increase of coal metamorphism, the adsorption potential shows first a decrease, followed by an increase. (d) The CH4 adsorption heat of coal samples increase with higher adsorption amount, but the CO2 adsorption heat of some coal samples has a negative linear correlation with adsorption amount.

Modified network kinetic model for coal pyrolysis with high-value products and low carbon emissions

Pyrolysis is a clean and efficient technology for the conversion of low-rank coal. Its key product is tar with high value. The complex composition of tar limits its further effective utilization. Although most kinetic models can provide the final distribution of three-phase products in coal pyrolysis, an effective prediction method for the specific composition of tar and gas has not yet been developed. Most numerical models serve to improve the total yield of volatile matter and cannot provide theoretical guidance for the improvement of tar quality or the reduction of carbon emission. Based on the basic assumptions of the CPD (Chemical Percolation Devolatilization) model for product molecules structure and generation mechanism, this paper proposed a more sophisticated method for dividing tar composition, which can achieve the division of light, medium, and heavy fractions of tar components according to boiling point. Light gas composition could be obtained with the combination of FG(Functional Group) submodel. The influence of pyrolysis final temperature, heating rate, and environmental pressure was explored for the yield and distribution of products of 18 coals. The simulation results showed that the total yield of tar was affected by both coal structure characteristics and operating parameters. Under conditions favorable for evaporation, such as low pressure and high temperature, the total yield of tar was positively correlated with the average aromatic core size in coal. Under other conditions, tar release was limited by its volatility. Coal with larger average aromatic core size corresponded to less tar yield instead. The pressure in the operating parameters had the most significant influence on the total yield of tar. The heavy fractions of tar are more sensitive to changes in operational parameters, making working conditions that increase the total yield of tar reduce tar quality. The overall carbon emission of pyrolysis is <1 kg CO2/kg tar, which is far lower than the 2–4 kg CO2/kg tar and 3–9 kg CO2/kg tar of direct and indirect liquefaction processes. Under the conditions of sufficient insulation time and no consideration of secondary reactions, the carbon emission of pyrolysis only depended on the content of carboxyl groups in the precursor functional groups. Therefore, the carbon emission intensity decreased with the increase of coal rank. For the optimization for total tar yield and tar quality, 1 atm pressure and 723–923 K temperature was optimal for low rank coals, while low temperature and heating rate with 10–20 atm pressure or high temperature and heating rate with 45–50 atm pressure were optimal for medium rank coals. For the optimization of light tar yield and tar quality, 6–9 atm pressure was optimal for low-rank coals, and 1–3 atm pressure was optimal for medium-rank coals.

Experimental study of coal rank effect on carbon dioxide injection to enhance CBM recovery

Coal seam gas extraction is an important part of green mining. At the same time gas injection for enhanced coalbed methane recovery (ECBM) has been proposed as an environmentally friendly, low-carbon and effective technology to increase methane production. To study the influence of coal rank on carbon dioxide (CO2)-ECBM efficiency, lignite, bituminous coal, and anthracite were tested using the Gas Flow and Displacement Testing Apparatus (GFDTA). Data indicated that: (1) in lignite and anthracite, outflow CO2 and CH4 fractions changed at higher rates as compared with bituminous coal. At the end of the experiments, lignite and anthracite displayed CH4 outflow fractions of 0.19% and 7.73%, respectively; (2) at the initial stage of the experiments, permeability rapidly decreased. Later, a fast increase was followed by a stable phase. In lignite and anthracite, the increment in permeability during the rapid increase stage was significantly larger than that of bituminous coal. (3) The CH4 flow rate of the three coal ranks showed a decreasing trend. Before the breakthrough, CH4 flow rate decreased rapidly and slowed down. After the breakthrough, CO2 flow displayed a linear increasing trend and later reached stability. (4) In general, CH4 production increased with the increase in coal rank. The variation of CH4 production is manifested in two phases with different dominant factors. In the first stage, CH4 production was mainly affected by permeability, and followed the order lignite > anthracite > bituminous. In the second stage, CH4 production was mainly controlled by the displacement effect, following the order anthracite > bituminous coal > lignite.

A micro-macro coupled permeability model for gas transport in coalbed methane reservoirs

It is of great scientific and engineering significances to reveal the coupling mechanism of microscale and macroscale permeabilities in coalbed methane (CBM) reservoirs. In this paper, firstly, the characteristics of the pore-fracture system of coal matrix, such as gas content, permeability, connectivity, geometric size difference, and direction of micro-fracture development, are revealed. Secondly, a coupled permeability model is established, and the coal rank control mechanism on the transformation of microscale and macrosclae permeabilities is clarified. Thirdly, based on the microscale gravitational field model, the coal rank-pressure coupling influence mechanism on slippage/diffusion/jump of adsorbed gas in the surface control field is clarified. Results show that: (a) under a certain temperature, the microscale permeability and macroscale permeability of coal matrix have a statistical correlation, and the degree of coal metamorphism is the only variable controlling the transformation of micro-macro permeabilities. (b) With the increase of coal rank from 0.5% to 3.5%, the conversion coefficient of bulk gas permeability decreases by 15 orders of magnitude. (c) With the increase of coal metamorphism, the porosity and the density of oxygen-containing functional groups decrease, leading to the proportion of the area of adsorbed water film decreases at first and then increases.

In situ synthesis of S‐doped coal‐based carbon quantum dots and its application to Cr6+ detection

AbstractBACKGROUNDCoal‐based carbon quantum dots have better stability compared with other carbon quantum dots prepared from small molecules as carbon sources. Elemental doping can effectively improve the fluorescence performance of carbon quantum dots. However, the electronegativity difference between sulfur and carbon is small and the charge transfer between the two is very weak, so it is very difficult to dope sulfur onto carbon quantum dots by chemical methods. High sulfur content coal can achieve in situ synthesis of sulfur‐containing carbon quantum dots.RESULTSThe results showed that the prepared quantum dots had good stability and which increased with the increase of coal rank. CQDS is well dispersed, with an average particle size between 2.44 and 2.74 nm. It can emit light blue fluorescence under the UV excitation of 365 nm. It was found that trace amount of Cr6+ had a fluorescence quenching effect on CQDS and a good linear relationship was observed in the range of 0–100 μmol·L−1.CONCLUSIONQuantum dots doped with S atoms have better selectivity, interference resistance, and sensitivity in the detection of metal ions. The stability and the particle size of CQDS are increased with the coal rank. The quantum yield of CQDS prepared from high sulfur content coal is higher than low sulfur content coal which has same rank. The addition of Cr6+ to CQDS produces a dynamic fluorescence quenching. This study provides a new idea for the green preparation of coal‐based carbon quantum dots and the ion detection. © 2023 Society of Chemical Industry.

Effect of cyclic load on mechanical properties and failure mechanisms of different rank coals

Underground coal is often subjected to periodic loads caused by mining stress. To determine the effect of cyclic load on mechanical properties of coal of different ranks and failure mechanisms, nanoindentation experiments and molecular dynamics (MD) simulations were used to study different rank coals. The results indicated that cyclic hardening occurred in all the coal matrices under cyclic loading. With the increase in coal rank, the change of the elastic modulus and the hardness, the energy dissipation rate, and the damage layer decreased, the cyclic hardening weakened, and the resistance of the six-membered ring structure increased. The plastic failure of the coal matrix was mainly connected with the bending and stretching of the bond, the dihedral angle twisting, and the out-of-plane bending vibration. The elastic deformation was correlated with the variation of the Coulomb force and the van der Waals force, the twisting and recuperation of the dihedral angle, and the out-of-plane bending vibration. With increasing coal rank, the effect of the elastic deformation of the Coulomb force weakened. When the coal rank exceeded a certain range, the influence of the plastic failure of the out-of-plane bending vibration was transformed into the elastic deformation, and the effect of the elastic deformation of the van der Waals force was transformed into the plastic failure.

Mechanical properties and failure mechanisms of different rank coals at the nanoscale

It is of great significance to explore the mechanical properties and failure mechanism of different rank coals at the nanoscale for preventing mine dynamic disasters. X-ray diffraction (XRD), mercury intrusion, and nano-indentation were used to study the relationship between rank, microstructure and mechanical properties of different rank coals, and using Mori-Tanaka method to upgrade the scale. To reveal the failure mechanism of coal, the nanoindentation process was simulated through molecular dynamics (MD). The results indicated that with the increase in coal rank, the peak load, hardness, elastic modulus, resistance of the six-membered ring structure, fracture toughness, the aromatic layer interlayer spacing (d002), positively proportional to lateral sizes (La), stacking height (Lc), and the number of aromatic layers (n) increased, while the plastic deformation, permeability, porosity, mineral content, and thickness of the damaged layer decreased. Minerals could strengthen the macro-mechanical properties of coal rock, while the pores weaken it. The load destroyed the bonds, angles, dihedral angles, and out-of-plane of coal macromolecules, which led to the plastic deformation of coal. And bonds and angles had the greatest influence on the failure of coal, followed by dihedral angles, and finally out-of-plane.

Quantitative characterization of pore-fracture structure of medium and high-rank coal based on micro-CT technology

ABSTRACT Coal is a natural and complex porous medium, which contains pore-fracture structures of different scales. The pore-fracture structures of coal directly affect the characteristics of gas storage and migration. In this paper, high-resolution X-ray CT scanning technology is used to quantitatively characterize the pore-fracture structure of medium and high-rank coals. First, the porosity inversion method is used to determine the optimal threshold segmentation of pores and fracture in medium and high-rank coals. Then, the pore and fracture model of representative element volume (REV) was extracted and established to characterize the area porosity, pore surface area, and shape factor of the two coals, and the relationship between pore surface area and shape factor was investigated. Finally, an equivalent pore network model (PNM) of connected pore topology was established, and pore-throat parameters are statistically analyzed, including pore volume, pore radius, throat radius, throat length, and coordination number. The results show that the average pore diameter and average surface area of macropores in medium-rank coals are larger than those of high-rank coals, and high-rank coals have fewer isolated pores. With the increase of coal rank, the length and radius of the throat gradually decrease, which indicates that the throat of the medium-rank coal has a higher degree of development, and the gas seepage ability in the throat is stronger. The outcome of this study is of great significance for comprehensively understanding the pore-fracture structure of coal in micro-scale.

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.

Influence of coalification on pore structure evolution in middle-ranked coals

The influence of coalification on coal structure evolution in middle ranked coals is significant for physical assessment of coalbed methane (CBM) reservoirs, which provides insights on the intrinsic connection between coalification jump and pore heterogeneity. A total of 26 middle-ranked coals were samples covering Liupanshui Coalfield in Guizhou Province, Anhe Coalfield in Henan Province, Huaibei Coalfield in Anhui Province, Sanjiang Basin in Heilongjiang Province, Ordos Basin in Shaanxi Province and Qinshui Basin in Shanxi Province. Based on a series of experiments including vitrinite reflectance, coal maceral identification, nitrogen adsorption and the pore fractal method, the inner link between physical property parameters of coal reservoirs and coal rank was revealed. The results show that the coal maceral in middle rank coals is dominated by vitrinite and inertinite and two types of adsorption pores are divided according to the nitrogen adsorption/desorption curves along with pore size distribution. The specific surface area is positively correlated with total pore volume, micropore volume and negatively correlated with averaged pore size and transitional pore volume. The coal samples with low average pore sizes have relatively high total pore volume, specific surface area and micropore volume per unit nm. With the increase of coal rank, the fluctuating points of micropore and transitional pore volume correspond to 1.16%–1.19%, 1.41%–1.43% and 1.86%–1.91% of Ro, max, respectively. The boundary of Ro, maxcorresponding to the second coalification jump can be more specifically defined as 1.16%–1.19% from the established nominal range of 1.1%–1.3%. The pore fractal dimension DNA1and DNA2increase with increasing specific surface area. Furthermore, the DNA2has a negative correlation with micropore volume and averaged pore size, indicating that the coal with smaller average pore diameter and lower micropore content has a more complex pore structure.

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.

Investigation of cleat and micro-fracture and its aperture distribution in the coals of different ranks in North China: Relative to reservoir permeability

The apertures of cleats and micro-fractures in coal play an important role in the permeability of the coal bed. In this study, optical microscopy and scanning electron microscopy were used to investigate the morphology of cleats and micro-fractures and their apertures, distribution of minerals, and matrix/fracture interactions. The neighboring mineralized and unmineralized cleats suggest the possibility of multi-stage evolutionary processes of cleat formation during the coalification process. The micro-fracture distribution of coals is closely related to their components, including organic macerals and inorganic minerals. Micro-fractures are prone to developing at the junction surface of organic macerals or the surface of organic and inorganic minerals. A mineral-genetic micro-fracture can be classified as an intra-crystal micro-fracture, an extra-crystal micro-scale fracture, or a grain-edge micro-scale fracture. Compared with the low- and middle-ranking coals, cleat and micro-scale fractures in high-ranking coal are usually filled with carbonate minerals and clay minerals. Statistical analysis reveals that the aperture distribution of cleat and micro-fracture in coal shows a log-normal distribution. The aperture of cleat and micro-fracture shows a decreasing trend with increase in coal rank. For low-ranking coal, cleats contribute more to the permeability than micro-fractures. However, for the middle- and high-ranking coals, the contribution of cleats and micro-fractures to the coal reservoir permeability will be close. As the rank of coal increases, the degree of cleat contribution to reservoir permeability decreases, while the degree of micro-fracture contributing to the reservoir permeability increases. Possible reasons for the extremely low reservoir permeability in China may be the following: 1) subsurface cleats and micro-fractures close their apertures significantly due to the in situ geo-stress or 2) cleats and micro-fractures have better permeability in the geological history, which makes the precipitation of minerals decrease the coal reservoir permeability. Therefore, the acid solvent (e.g., HAc, HCl, and HF) added to the drilling or hydraulic fracturing fluid or the geo-stress relief technologies may be an effective way of enlarging the cleat or micro-fracture aperture and enhance the reservoir permeability for coalbed methane production.

Study on the Electrical Control Mechanism of Gas Occurrence in a Microscale Coal Matrix.

The study of the gas occurrence mechanism in a microscale coal matrix is the basis of coalbed methane (CBM) reservoir formation mechanism analysis and its exploration and development scheme design, which has important scientific and engineering significance. Currently, many researchers are focusing on a specific coal type to explore the macroscopic adsorption characteristics of gas occurrence. However, the research on the microscale gas-solid coupling mechanism is relatively rare and the electrical control mechanism of gas occurrence is not reported in detail. This study focuses on the electrical mechanism of microscale gas occurrence using physical simulation experiments and molecular dynamics analysis. This study clarifies the "gas adsorption-electrical properties-functional group" linkage mechanism and explores the macroscopic performance of the microscale gas occurrence mechanism using electrical properties. The study reveals the following: (1) the coal reservoirs exhibit a weak negative potential at the nanoscale, and the trends of surface potential (SP) and surface electrical charging density (SECD) are fluctuated with the degree of coal rank increases; (2) there is a good correlation between the SP, SECD values, and the relative content of functional groups; and (3) the charge density on the coal's microscopic surface influences their gas molecule attraction capacity, affecting the gas adsorption capacity of coal reservoirs at the macroscale. This study presents a theoretical foundation for establishing the molecular force field superposition mechanism of gas occurrence in microscale coal matrix and has broad application prospects in the macroscale numerical simulation of CBM development.

The Extraction Effect of Supercritical CO2 on Coal Organic Matter Based on CO2 Sequestration in Unmineable Coal Seam

On the basis of the effect of extraction components of supercritical CO2 (Sc-CO2) from coal on groundwater in the fields of greenhouse gas CO2 sequestration into deep and unmineable coal seams, Sc-CO2 extracts from coals were analyzed using GC/MS to investigate the compositions and their contents of the extracts under different experimental conditions. The results show that Sc-CO2 extracts from coals contain hydrocarbons and organic compounds containing heteroatoms. The main compound in the extract is hydrocarbons which include a large concentration of acyclic alkanes and alkenes and a small concentration of cycloalkanes and aromatic hydrocarbons. Even-numbered n-alkane dominates in the extract, and hexacosene is the main alkene in the extracts from lignite and bituminous coal. The aromatic hydrocarbons are more difficult to extract and their concentration decreases with the increase of coal rank. The main oxygen-containing compounds are esters and carboxylic acids which are more easily extracted from lignite. The concentrations of nitrogen-containing compounds are very small and are more difficult to extract from coal with the rank increase. A small concentration of sulfur-containing compounds is extracted from coal. The results demonstrate that Sc-CO2 has the potential to mobilize organic compounds from coal seams, which affect the transport of CO2 in coal seams and cause groundwater pollution.

Pyrolysis characteristics and microstructure evolution of different coal types

Coal pyrolysis is the basis of coal gasification, as it is the necessary reaction step in the coal conversion process. To study the pyrolysis characteristics of different coal grades under temperature, thermal simulation tests of three different ranks of coal were conducted, and the pore structure and gas products were analyzed by using liquid nitrogen adsorption and gas chromatographic, and perform fractal fitting for pores of different size. The results show that the pyrolysis gas output of Inner Mongolia lignite is higher than that of Xinjiang long flame coal and Hancheng bituminous coal. With the increase of coal rank, the gas output of each gas component also shows a decreasing trend and the initial temperature and peak temperature of various gases gradually shift to high temperature. With the increase of temperature, the average pore size, volume, specific surface area, and fractal dimension of the three kinds of coal char show an increasing trend. The average pore size and pore volume of coal char increase, and the fractal dimension increase with the increase of coal rank. The comprehensive comparative analysis of the gaseous products, average pore size, pore volume, and fractal dimension of the three coal chars shows that Inner Mongolia lignite has high gas production, large average pore size, good connectivity, and simple pore structure, which is conducive to the escape of pyrolysis gas and the transportation of gasification agent and is the best favorable coal for gasification. The research results are expected to provide experimental guidance for the actual production of underground coal gasification.

Experimental simulate on hydrogen production of different coals in underground coal gasification

Research on hydrogen production from coal gasification is mainly focused on the formation of CO and H2 from coal and water vapor in high-temperature environments. However, in the process of underground coal gasification, the water gas shift reaction of low-temperature steam will absorb a lot of heat, which makes it difficult to maintain the combustion of coal seams in the process of underground coal gasification. In order to obtain high-quality hydrogen, a pure oxygen-steam gasification process is used to improve the gasification efficiency. And as the gasification surface continues to recede, the drying, pyrolysis, gasification and combustion reactions of underground coal seams gradually occur. Direct coal gasification can't truly reflect the process of underground coal gasification. In order to simulate the hydrogen production laws of different coal types in the underground gasification process realistically, a two-step gasification process (pyrolysis of coal followed by gasification of the char) was proposed to process coal to produce hydrogen-rich gas. First, the effects of temperature and coal rank on product distribution were studied in the pyrolysis process. Then, the coal char at the final pyrolysis temperature of 900 °C was gasified with pure oxygen-steam. The results showed that, the hydrogen production of the three coal chars increased with the increase of temperature during the pyrolysis process, the hydrogen release from Inner Mongolia lignite and Xinjiang long flame coal have the same trend, and the bimodality is obvious. The hydrogen release in the first stage mainly comes from the dehydrogenation of the fat side chain, and the hydrogen release in the second stage mainly comes from the polycondensation reaction in the later stage of pyrolysis, and the pyrolysis process of coal contributes 15.81%–43.33% of hydrogen, as the coal rank increases, the hydrogen production rate gradually decreases. In the gasification process, the release of hydrogen mainly comes from the water gas shift reaction, the hydrogen output is mainly affected by the quality and carbon content of coal char. With the increase of coal rank, the hydrogen output gradually increases, mainly due to the increasing of coal coke yield and carbon content, The gasification process of coal char contributes 56.67–84.19% of hydrogen, in contrast, coal char gasification provides more hydrogen. The total effective gas output of the three coal chars is 0.53–0.81 m3/kg, the hydrogen output is 0.3–0.43 m3/kg, and the percentage of hydrogen is 53.08–56.60%. This study shows that two-step gasification under the condition of pure oxygen-steam gasification agent is an efficient energy process for hydrogen production from underground coal gasification.