| 초록 |
Sulfur hexafluoride(SF6) is used in dielectric industries as an insulated gas and used as a mixed gas with nigrogen(N2) due to high global warming potential. Used in the form of mixed gas, it is not well separated by cracking. In this regard, adsorption using porous material has attention as an effective method such as Pressure-swing adsorption(PSA) process. Metal-organic frameworks(MOFs) are porous materials consisting of metal ions and organic ligands and are suitable for gas separation by high surface area, thermal stability and tunability. Selectivity for specific gas in mixed gas separation using adsorbents is one of the critical criteria. This work search suitable MOF with high SF6 selectivity for SF6/N2 separation by High-throughput computational screening (HTS) based on CoRE MOF database using combination two force field and two SF6 computational model. Structures are classified three criteria; 1)SF6 model PLD 2)exception of expensive metal 3)Henry’s coefficient selectivity. |
