Youn‐Sang Bae

The development of new microporous materials for adsorption separation processes is a rapidly growing field because of potential applications such as carbon capture and sequestration (CCS) and purification of clean-burning natural gas. In particular, new metal-organic frameworks (MOFs) and other porous coordination polymers are being generated at a rapid and growing pace. Herein, we address the question of how this large number of materials can be quickly evaluated for their practical applicatio

The adsorption of CO2 and CH4 in a mixed-ligand metal-organic framework (MOF) Zn 2(NDC) 2(DPNI) [NDC = 2,6-naphthalenedicarboxylate, DPNI = N, N'-di-(4-pyridyl)-1,4,5,8-naphthalene tetracarboxydiimide] was investigated using volumetric adsorption measurements and grand canonical Monte Carlo (GCMC) simulations. The MOF was synthesized by two routes: first at 80 degrees C for two days with conventional heating, and second at 120 degrees C for 1 h using microwave heating. The two as-synthesized sam

Two go in, one comes out: A series of isostructural M-MOF-74 materials (M=Co, Mn, and Mg) with high densities of open metal sites have been examined for the selective adsorption of propene over propane. Co-MOF-74 exhibits the highest thermodynamic C3H6/C3H8 selectivity (ca. 45) reported for any MOF to date.

There is an urgent need to identify porous materials that can efficiently separate CO2 from mixtures of gases, such as the exhaust of fossil-fuel-based power plants and from impure sources of CH4 (e.g., natural gas and landfill gas). Recently, researchers have investigated collections of porous metal–organic frameworks (MOFs) with the intent of finding correlations between CO2 separation ability and various material properties. However, due to the limited size of the collections, no clear correl

Post-synthesis modification of a MOF by replacing coordinated solvent molecules with highly polar ligands leads to considerable enhancement of CO2/N2 selectivity.

Separation of CO(2)/CH(4) mixtures was studied in carborane-based metal-organic framework materials with and without coordinatively unsaturated metal sites; high selectivities for CO(2) over CH(4) ( approximately 17) are obtained, especially in the material with open metal sites.

The BET analysis is commonly used for determining surface areas of metal-organic frameworks (MOFs) and zeolites that contain "ultra-micropores" (<7 A) even though it is often stated that the BET surface areas obtained for such small pores are not really meaningful in an absolute sense. In this study, nitrogen and argon isotherms in MOFs and zeolites (most of them having ultra-micropores) were predicted by grand canonical Monte Carlo (GCMC) simulations and used as pseudoexperimental data to evalu

Separations of CO(2)/CH(4), CO(2)/N(2), and O(2)/N(2) mixtures were studied in three porous coordination polymers made of the same carborane ligand and Co(ii) nodes. High selectivities for CO(2) over CH(4) ( approximately 47) and CO(2) over N(2) ( approximately 95) were obtained, especially in the material with coordinated pyridine. Unusual selectivity for O(2) over N(2) (as high as 6.5) was demonstrated in the materials with open Co(ii) sites.