A Computational Study of the Adsorptive Separation of Methane and Hydrogen in Zeolite Templated Carbons

Combustion of conventional energy sources produces pollutants such as SOx, NOx, and CO; the use hydrogen methane can eliminate these harmful emissions. In fuel cell technology other uses, must be refined by extracting from methane/hydrogen combination, produced via dry or steam reforming. This study investigates adsorption separation capabilities recently discovered zeolite-templated carbons (ZTCs) for binary mixtures consisting methane. To assess performances carbon-based nanostructures, grand canonical Monte Carlo (GCMC) simulations were used. The simulation results revealed that AFY (|(C6H15N)3(H2O)7|[Co3Al5P8O32]) RWY (|(C6H18N4)16| [Ga32Ge16S96]) structures could viable alternatives applications involving adsorptive gas based on selectivity CH4 uptake capacity. was calculated to 176, while its capacity found 2.57 mmol/g, 132, 3.49 mmol/g.