Research on the composition and structure of coal is the most important and complex basic research in the coal chemistry field. Various methods have been used to study the structure of coal from different perspectives. However, due to the complexity of coal and the limitations of research methods, research on the macromolecular structure of coal still lacks systematicness. Huainan coalfield is located in eastern China and is the largest coal production and processing base in the region. In this study, conventional proximate analysis and ultimate analysis, as well as advanced instrumental analysis methods, such as Fourier transform infrared spectroscopy (FITR), X-ray diffraction (XRD), ¹³C-CP/MAS NMR, and other methods (SEM and AFM), were used to analyze the molecular structure of Huainan coal (HNC) and the distribution characteristics of oxygen in different oxygen-containing functional groups (OCFGs) in an in-depth manner. On the basis of SEM observation, it could be concluded that the high-resolution morphology of HNC’s surface contains pores and fractures of different sizes. The loose arrangement pattern of HNC’s molecular structure could be seen from 3D AFM images. The XRD patterns show that the condensation degree of HNC’s aromatic ring is low, and the orientation degree of carbon network lamellae is poor. The calculated ratio of the diameter of aromatic ring lamellae to their stacking height (La/Lc = 1.05) and the effective stacking number of aromatic nuclei (Nave = 7.3) show that the molecular space structure of HNC is a cube formed of seven stacked aromatic lamellae. The FTIR spectra fitting results reveal that the aliphatic chains in HNC’s molecular structure are mainly methyne and methylene. Oxygen is mainly –O–, followed by –C=O, and contains a small amount of –OH, the ratio of which is about 8:1:2. The molar fraction of binding elements has the approximate molecular structure C₁₀₀H₇₆O₉N of organic matter in HNC. The results of the ¹³C NMR experiments show that the form of aromatic carbon atoms in HNC’s structure (the average structural size X_b of aromatic nucleus = 0.16) is mainly naphthalene with a condensation degree of 2, and the rest are aromatic rings composed of benzene rings and heteroatoms. In addition, HNC is relatively rich in ≡CH and –CH₂– structures.

HN-1# is the first fully working coring well of the Taiyuan Formation (Ty) in the Huinan Coalfield and exploration studies are currently underway on the associated resources of the coal-bearing strata. The HN-1# well is located in the Fufeng thrust nappe structural belt in the south of the Huainan Coalfield. Three coal samples from the Ty were collected from HN-1# and inductively-coupled plasma mass spectrometry and inductively-coupled plasma atomic emission spectrometry were used to determine the Ge content of each sample. Based on proximate and ultimate analyses, microscopy data, and analyses of the ash products, some important findings were made. The Ty coal samples had a relatively high total sulfur (S-t,S-d) content (4.24%), thus the coal was considered to be a lower ranked coal (high volatility bituminous coal), which also had a low coal ash composition index (k, 1.87). Collodetrinite was the main submaceral of the Ty coal. Small amounts of pyrite particles were found in the coal seams of the Ty, while the contents of pyrite and algae in the top and bottom sections of the coal seam were relatively high, which meant that the swampy peat conditions which existed during the formation of the coal seams were affected by seawater; also the degree of mineralization of the coal seam was relatively high, which is consistent with reducing conditions in a coastal environment setting. Atomic force microscopy (AFM) experiments showed that the modes of occurrence of Ge in the Ty coal were mainly those for organic-bound and adsorbed Ge species. The organic carbon isotope values for the Ty coal ranged from -24.1 parts per thousand to -23.8 parts per thousand, with an average value of -24.0 parts per thousand, which is equivalent to the value for terrestrial plants (average value -24.0 parts per thousand). The Ge content of the Ty coal was 13.57 mg/kg. The Ge content was negatively correlated with volatile matter and the ash yield.

The pore structure of reservoir rocks was a crucial factor affecting hydrocarbon production. Accurately characterized the micropore structure of different types of rock reservoirs was of great significance for unconventional natural gas exploration. In this study, multiple observation methods (field emission scanning electron microscope (FESEM) and low-field nuclear magnetic resonance (LFNMR)) and physical tests (mercury injection capillary pressure (MICP)) were employed, and double logarithmic plots for fractal fitting were illustrated. The fractal dimension of 15 samples was calculated using fractal theory to systematically investigate the pore–fracture structure and fractal characteristics of hydrocarbon source rock (limestone, mudstone, and sandstone) samples from the Late Carboniferous Taiyuan Formation in the Huainan coalfield. MICP experiments revealed that sandstone reservoirs had larger and more uniformly distributed pore throats compared to mudstone and limestone, exhibiting superior connectivity and permeability. The T₂ spectrum characteristic maps obtained using LFNMR were also consistent with the pore distribution patterns derived from MICP experiments, particularly showed that sandstone types exhibited excellent signal intensity across different relaxation time periods and had a broader T₂ spectrum width, which fully indicated that sandstone types possess superior pore structures and higher connectivity. FESEM experiments demonstrated that sandstone pores were highly developed and uniform, with sandstone fractures dominated by large fractures above the micrometer scale. Meanwhile, the FESEM fractal dimension results indicated that sandstone exhibits good fractal characteristics, validating its certain oil storage capacity. Furthermore, the FESEM fractal dimension exhibited a good correlation with the porosity and permeability of the hydrocarbon source rock reservoirs, suggesting that the FESEM fractal dimension can serve as an important parameter for evaluating the physical properties of hydrocarbon source rock reservoirs. This study enriched the basic geological theories for unconventional natural gas exploration in deep coal-bearing strata in the Huainan coalfield.