Charged-Controlled Separation of Nitrogen from Natural Gas Using Boron Nitride Fullerene

Abstract

Natural gas (the main component is methane) has been widely used as a fuel and raw material in industry. Removal of nitrogen (N₂) from methane (CH₄) can reduce the cost of natural gas transport and improve its efficiency. However, their extremely similar size increases the difficulty of separating N₂ from CH_4. In this study, we have performed a comprehensive investigation of N₂ and CH₄ adsorption on different charge states of boron nitride (BN) nanocage fullerene, B₃₆N₃₆, by using a density functional theory approach. The calculational results indicate that B₃₆N₃₆ in the negatively charged state has high selectivity in separating N₂ from CH₄. Moreover, once the extra electron is removed from the BN nanocage, the N₂ will be released from the material. This study demonstrates that the B₃₆N₃₆ fullerene can be used as a highly selective and reusable material for the separation of N₂ from CH₄. The study also provides a clue to experimental design and application of BN nanomaterials for natural gas purification