Abstract
The aim of this study is to evaluate the effectiveness of fullerene pillared graphene nanocomposites (FPGNs) in the selective separation of hydrogen sulfide (H2S) contaminants from methane (CH4). To systematically examine the effects of pore architecture on the gas separation behavior of FPGNs, four different kinds of fullerenes (C60, C180, C320 and C540) were considered as supporting pillars. Grand canonical Monte Carlo calculations were employed to examine the adsorptive separation dynamics of H2S/CH4 mixtures with different mole fractions of H2S (5 %, 12.5 %, 25 % and 50 %) at 298 K as a function of the pressure. The simulation results underscore the potential for substantial enhancement in both adsorption efficacy and selectivity of the proposed FPGNs through appropriate manipulation of design parameters. The results also revealed that the selectivity performance of FPGNs for H2S/CH4 mixture systems is competitive with many adsorbent materials. These findings highlight the prospective utility of FPGN structures endowed with tunable pore architectures as promising candidates for addressing the challenges posed by H2S/CH4 mixture gas separation applications.
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