Competitive Adsorption of Ternary Gas Mixtures (CO2/CH4/C3H8) in Quartz Nanopores: A GCMC Simulation Study

Published: 21 July 2026| Version 1 | DOI: 10.17632/g5dnc7dfpv.1
Contributor:
Gang Wu

Description

GCMC simulations were employed to systematically investigate the competitive adsorption of a ternary mixture (CO2/CH4/C3H8) within quartz nanopores. The uploaded data includes the following information: 1. The isotherms of CH4 and C3H8 in mixed gas with different CO2 fraction. 2. The adsorption amounts of methane and propane in the mixed gas vary with the proportion of CO2 under different pressures. 3. Potential energy distribution curves of CH4 and C3H8 with different mole fractions of CO2. 4. Potential energy distribution curves of CH4 and C3H8 under different pressure and with varing CO2 fraction. 5. The isosteric heat of CO2, CH4 and C3H8 under different pressure and with varing CO2 fraction.

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Adsorption, Grand Canonical Monte Carlo

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