Adsorption of gas-water binary systems in carbon micropores: Computer simulation

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Abstract
The adsorption of gas-water mixture in micropores of carbon materials at 298 K has been studied using computer simulation. Methane, nitrogen, ammonia, carbon dioxide, and hydrogen sulfide were considered as gas components. In the grand canonical ensemble Monte-Carlo simulation of adsorption, the displacement of a gas component from a pore as a result of the formation of water microclusters was observed for all systems studied. Cluster growth conditions on graphite-like and activated surfaces differ significantly. The comparative stability of adsorbed gas-water mixtures has been determined for all gases.

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