Abstract
AbstractThe low mass transfer rate in porous materials hinders the use of adsorbed natural gas as vehicle fuel. Fundamentally, the mass transfer rate depends on the structures of the adsorbents and the operating conditions. Therefore, in this study, the effects of adsorbent (activated carbons) structure and operating conditions on the mass transfer rate of methane (main component of natural gas) were investigated quantitatively, providing a theoretical basis for the synthesis of efficient adsorbent materials. By performing Monte Carlo and molecular dynamics simulations and utilizing a nonequilibrium thermodynamic linearization transfer model, the mass transfer behavior of methane in porous carbon materials was quantitatively evaluated, specifically focusing on the material structure, operating conditions, and feasibility of using natural gas as vehicle fuel. The proposed linear nonequilibrium thermodynamic mass transfer model is applicable to interfacial gas species and provides a valuable tool for gas separation.
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