In this work, we studied pure components as well as ethylene/ethane and propylene/propane binary mixtures uptakes and selectivities at 318 K and 1 bar into metal-organic frameworks Ni2(dobdc) and Ni2(m-dobdc) using GCMC simulations. We used DFT method to modify the potential model of ...
The well-known frameworks of the type M2(dobdc) (dobdc4– = 2,5-dioxido-1,4-benzenedicarboxylate) have numerous potential applications in gas storage and separations, owing to their exceptionally high concentration of coordinatively unsaturated metal surface sites, which can interact strongly with ...
M 2 ( m -dobdc) (M = Mg, Mn, Fe, Co, Ni) Metal–Organic Frameworks Exhibiting Increased Charge Density and Enhanced H 2 Binding at the Open Metal Sites 来自 onacademic.com 喜欢 0 阅读量: 41 作者: MT Kapelewski,SJ Geier,MR Hudson,D Stück,JA Mason,JN Nelson,DJ Xiao,Z Hulvey,...
Here, we demonstrate that the metal–organic frameworks M2(m‐dobdc) (M=Co, Ni; m‐dobdc4?=4,6‐dioxido‐1,3‐benzenedicarboxylate) effectively separate Xe and Kr at ambient temperatures based on the different adsorption enthalpies of each gas at the coordinatively‐unsaturated M2+ sites in ...
In this work, we studied pure components as well as ethylene/ethane and propylene/propane binary mixtures uptakes and selectivities at 318K and 1bar into metal-organic frameworks Ni2(dobdc) and Ni2(m-dobdc) using GCMC simulations. We used DFT method to modify the potential model of carbon-...
The well-known frameworks of the type M2(dobdc) (dobdc(4-) = 2,5-dioxido-1,4-benzenedicarboxylate) have numerous potential applications in gas storage and separations, owing to their exceptionally high concentration of coordinatively unsaturated metal surface sites, which can interact strongly with ...
Isostructural [M-2(DOBDC)(EG)(2)) (M = Mg, Co, Ni) frameworks are first synthesized by controlling the pH* in the reaction medium. Coordinated ethylene glycols form a hexagonal OH cluster, which works as a template to grow single crystals with high crystallinity. After the liberation of...