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.

Clay is found in some countries all over the world. It usually has low compressive strength and cannot be used as a bearing material for subgrade soil. In this paper, the influence of basicity on a metakaolin-based polymer binder to improve clay was studied. The effects of the molar concentration of the alkali activator, different concentration of the metakaolin-based geopolymer and curing time on unconfined compressive strength were studied. The alkali activator-to-ash ratio was maintained at 0.7. The percentage of metakaolin added to the soil relative to metakaolin and soil mixture was 6%, 8%, 10% and 12%. The sodium hydroxide concentrations are 2M, 4M, 6M and 8M. Unconfined compressive strength (UCS) was tested on days 3, 7, 14 and 28, respectively. Compared with original clay, the results show that the unconfined compressive strength increases with the increase in metakaolin content and molar concentration of NaOH. The maximum compressive strength of the sample with NaOH concentration of 8M and percentage of 12% was 4109 kN on the 28th day, which is about 112% higher than that of the original clay. Scanning electron microscopy (SEM) and X-ray diffraction (XRD) results showed that the cementing compound covered the clay particles due to the reaction of the geopolymer with the clay, resulting in the formation of adhesive particles. The main purpose of this study is to verify the effectiveness and stability of metakaolin-based geopolymer binder polymerization under normal temperature and a strong alkali environment. The results can provide parameters for the application and promotion of metakaolin-based geopolymers in soil improvement engineering.

Owing to the complexity and heterogeneity of coal during pyrolysis, the ex situ analytical techniques cannot accurately reflect the real coal pyrolysis process. In this study, according to the joint investigation of Fourier-transform infrared spectroscopy (FTIR) and X-ray diffraction (XRD), the structural evolution characteristics of lignite-subbituminous coal-bituminous coal-anthracite series under heat treatment were discussed in depth. The results of the infrared spectrum of coal show that the different functional groups of coal show different changes with the increase of coal rank before pyrolysis experiment. Based on in situ infrared spectroscopy experiments, it was found that the infrared spectrum curves of the same coal sample have obvious changes at different pyrolysis temperatures. As a whole, when the pyrolysis temperature is between 400 and 500°C, the coal structure can be greatly changed. By fitting the infrared spectrum curve, the infrared spectrum parameters of coal were obtained. With the change of temperature, these parameters show regular changes in coal with different ranks. In the XRD study of coal, the absorption intensity of the diffraction peak (002) of coal increases with increasing coal rank. The XRD patterns of coal have different characteristics at different pyrolysis temperatures. Overall, the area of (002) diffraction peak of the same coal sample increases obviously with the increase of temperature. The XRD structural parameter of coal was obtained by using the curve fitting method. The changing process of two parameters (interlayer spacing (d₀₀₂) and stacking height (L_c)) can be divided into two main stages, but the average lateral size (L_a) does not change significantly and remains at the 2.98 ± 0.09 nm. In summary, the above two technologies complement each other in the study of coal structure. The temperature range of both experiments is different, but the XRD parameters of coal with different ranks are reduced within the temperature range of less than 500°C, which reflects that the size of coal-heated aromatic ring lamellae is reduced and the distance between lamellae is also reduced, indicating that the degree of condensation of coal aromatic nuclei may be increased. Correspondingly, the FTIR parameters of coal also reflect that, with increasing temperature, the side chains of coal are constantly cracked, the oxygen-containing functional groups are reduced, and the degree of aromatization of coal may be increased.

The accumulation/improper treatment of coal gangue will not only lead to waste of land, but also cause environmental pollution. Especially the impact of radioactive elements on the surrounding ecological environment is widely concerned by many scholars. In this study, the concentration of radioactive elements (uranium (U) and thorium (Th)) of small-scale coal gangue mining site and surrounding soil in the northern region of Xieqiao coal mine were tested, the material composition of coal gangue was analyzed via XRF and XRD, the modes of occurrence of U and Th elements were investigated, and their potential ecological risks and ecological effectiveness were evaluated. The results show that the clay minerals with high content in coal gangue are the key minerals for the adsorption of uranium and thorium in coal gangue. The specific activity of two radioactive elements (U and Th) in soil is much lower than that of coal gangue. With the increase of the distance from the soil collection point to the gangue piles and the depth of the soil profile, the specific activities of the two radioactive elements decrease gradually. On the basis of the concentration curve, the range of the radioactive contamination halo of gangue piles is limited (≤30 m), speculating qualitatively that the gangue dump has no significant influence on the radioactivity of the surrounding water. The modes of occurrence of U and Th in coal gangue and soil are altered. According to the index of geo-accumulation, Th is easier to accumulate in soil environment, but Th and U pollution in soil is not obvious. In contrast to U element, the active state of Th element in soil is generally affected by exogenous (coal gangue) export, which may have a potential environmental effects. This study provides a research idea for the investigation of radioactive element pollution to the surrounding soil in small-scale coal gangue plies.