Injecting CO2 into coal seams to enhance coal bed methane (ECBM) recovery has been identified as a viable method for increasing methane extraction. This process also has significant potential for sequestering large volumes of CO2, thereby reducing the concentration of greenhouse gases in the atmosphere. However, for deep coal seams where formation pressure is relatively high, there is limited research on CO2 injection into systems with higher methane adsorption equilibrium pressure. Existing studies, mostly confined to the low-pressure stage, fail to effectively reveal the impact of factors such as temperature, high-pressure CO2 injection, and coal types on enhancing the recovery and sequestration of CO2-displaced methane. Thus, this study aims to investigate the influence of temperature, pressure, and coal types on ECBM recovery and CO2 sequestration in deep coal seams. A series of CO2 core flooding tests were conducted on various coal cores, with CO2 injection pressures ranging from 8 to 18 MPa. The CO2 and methane adsorption rates, as well as methane displacement efficiency, were calculated and recorded to facilitate result interpretation. Based on the results of these physical experiments, numerical simulation was conducted to study multi-component competitive adsorption, desorption, and seepage flow under high temperature and high pressure in a deep coal seam’s horizontal well. Finally, the optimization of the total injection amount (0.7 PV) and injection pressure (approximately 15.0 MPa) was carried out for the plan of CO2 displacement of methane in a single well in the later stage.