Molecular Simulation of Thermodynamic Properties of CH₄/CO₂ Adsorption by Coal Molecules at Different Temperatures and Moisture Contents under Variable Pressure Conditions.

of single-component and binary-component CH 4 /CO 2 was increased, indicating that the adsorption amount of the two was not only affected by the equivalent heat of adsorption but also affected by other factors. The average heat of adsorption of CH 4 at 298/308/318 K was 23.76/23.3/23.21 kJ/mol with a decreasing trend, and the average heat of adsorption of CO 2 was 39.94/39.31/38.95 kJ/mol with a decreasing trend.

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