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

Natural gas (the main component is methane) has been widely used as a fuel and raw material in industry. Removal of nitrogen (N 2 ) from methane (CH 4 ) can reduce the cost of natural gas transport and improve its efficiency. However, their extremely similar size increases the difficulty of separating N 2 from CH 4. In this study, we have performed a comprehensive investigation of N 2 and CH 4 adsorption on different charge states of boron nitride (BN) nanocage fullerene, B 36 N 36, by using a density functional theory approach. The calculational results indicate that B 36 N 36 in the negatively charged state has high selectivity in separating N 2 from CH 4 . Moreover, once the extra electron is removed from the BN nanocage, the N 2 will be released from the material. This study demonstrates that the B 36 N 36 fullerene can be used as a highly selective and reusable material for the separation of N 2 from CH 4 . The study also provides a clue to experimental design and application of BN nanomaterials for natural gas purification.