Expulsion of small molecule hydrocarbons and expansion of nanopores effect in tectonically deformed coal evolution

This work aimed to investigate the impact of the evolution of small molecular structures during the deformation of coal on the constraints imposed on nanoscale pores and adsorption behaviors. Both undeformed and tectonically deformed coal (TDC) from the Huaibei mining area in China were collected for analysis. The pyridine was employed for the extraction of small molecules from coal, which was further complemented by Fourier-transform infrared spectroscopy (FTIR) and low-pressure CO2 and N2 adsorption experiments (LP-CO2/N2AD). The study yielded the following results: (1) Intense tectonic stresses facilitate the removal and recombination of small molecular side chains within the basic structural units (BSU) of coal. As deformation occurs, hydroxyl groups, aliphatic hydrocarbons, C=O, C=C, aromatic hydrocarbons, and 'C' structures tend to accumulate, resulting in an enhanced extraction rate. (2) The deformation process of the coal demonstrates a significant pore-expansion effect, with the most substantial increase observed in micropores (surface area increased by over 70 %), followed by mesopores and macropores. This enlargement facilitates the aggregation of small molecules and gas storage. (3) Intense deformation stages involving shear slip, ductile deformation, and maceral fragmentation result in small molecular fractures and an increased number of micropores. The removal and recombination of I, DOC, and CH2/CH3 within BSUs lead to the formation of larger interconnected pores accompanied by the ag-gregation of hydroxyl groups (OH-), C=O, C=C, aliphatic hydrocarbons, and 'C' structures. (4) The adsorption capacity of residual coal is lower than that of the raw coal before extraction, indicating that small molecular structures contribute to increased adsorption. This likely plays a significant role in the higher gas content observed in structurally deformed coal. The removal of small molecular structures effectively diminishes the adsorption capacity, providing novel perspectives for coalbed methane development and gas extraction in TDC areas.