The majority of coalbed methane (CBM) in coal reservoirs is in adsorption states in coal matrix pores. To reveal the adsorption behavior of bituminous coal under high-temperature and high-pressure conditions and to discuss the microscopic control mechanism affecting the adsorption characteristics, isothermal adsorption experiments under high-temperature and high-pressure conditions, low-temperature liquid nitrogen adsorption-desorption experiments and CO2 adsorption experiments were performed on coal samples. Results show that the adsorption capacity of coal is comprehensively controlled by the maximum vitrinite reflectance (Ro, max), as well as temperature and pressure conditions. As the vitrinite reflectance increases, the adsorption capacity of coal increases. At low pressures, the pressure has a significant effect on the positive effect of adsorption, but the effect of temperature is relatively weak. As the pressure increases, the effect of temperature on the negative effect of adsorption gradually becomes apparent, and the influence of pressure gradually decreases. Considering pore volumes of pores with diameters of 1.7?100 nm, the peak volume of pores with diameters 10?100 nm is higher than that from pores with diameters 1.7?10 nm, especially for pores with diameters of 40?60 nm, indicating that pores with diameters of 10?100 nm are the main contributors to the pore volume. The pore specific surface area shows multiple peaks, and the peak value appears for pore diameters of 2?3 nm, indicating that this pore diameter is the main contributor to the specific surface area. For pore diameters of 0.489?1.083 nm, the pore size distribution is bimodal, with peak values at 0.56?0.62 nm and 0.82?0.88 nm. The adsorption capability of the coal reservoir depends on the development degree of the supermicroporous speci?c surface area, because the supermicroporous pores are the main contributors to the specific pore area. Additionally, the adsorption space increases as the adsorption equilibrium pressure increases. Under the same pressure, as the maximum vitrinite reflectance increases, the adsorption space increases. In addition, the cumulative reduction in the surface free energy increases as the maximum vitrinite reflectance increases. Furthermore, as the pressure increases, the surface free energy of each pressure point gradually decreases, indicating that as the pressure increases, it is increasingly difficult to adsorb methane molecules.