Mechanistic Insights into CO<sub>2</sub>/CH<sub>4</sub> Competitive Adsorption in Coal for Enhanced Methane Recovery and Carbon Sequestration.

As the temperature rises, the dominant adsorption sites of CO 2 and CH 4 show a decreasing trend, with the adsorption potential of CO 2 decreasing from −6.25 kcal/mol to −5.65 kcal/mol and that of CH 4 decreasing from −4.45 kcal/mol to −4.25 kcal/mol.

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