Insights on Adsorption Characterization of Metal-Organic Frameworks: A Benchmark Study on the Novel soc-MOF

A Microporous Copper Metal–Organic Framework with High H2 and CO2 Adsorption Capacity at Ambient Pressure

“…The significant differences in the pore filling pressures between the Ar (87 K) and N 2 (77 K) sorption isotherms is interpreted as specific interactions between the quadrupolar N 2 molecules and the polar groups in the narrow pore channels of the MOF framework. [27] The relative pressure region where Ar (87 K) fills the pores of this copper MOF is for instance very similar to the relative pressure range where argon fills the narrow pores of a ZSM-5 zeolite. [28] Hence the effective degree of confinement for the adsorbate is comparable to the situation in ZSM-5, and accordingly the pore size distribution obtained by applying a NLDFT Ar (87.5 K) zeolite kernel based on a cylindrical pore model results in a narrow pore size distribution centered around 0.55 nm ( Figure S4).…”

“…The constancy of the heat of adsorption is indicative of the homogeneity of the H 2 adsorption sites. [27] Therefore the strong interaction between the hydrogen molecules and the framework of 1 d is mainly attributed to the narrow micropores and the polar framework. To our knowledge, no MOF material has been reported so far with a higher H 2 uptake (15.2 mmol g À1 , 3.07 wt %) at ambient pressure at 77 K ( Table 2).…”

A Microporous Copper Metal–Organic Framework with High H2 and CO2 Adsorption Capacity at Ambient Pressure

“…The significant differences in the pore filling pressures between the Ar (87 K) and N 2 (77 K) sorption isotherms is interpreted as specific interactions between the quadrupolar N 2 molecules and the polar groups in the narrow pore channels of the MOF framework. [27] The relative pressure region where Ar (87 K) fills the pores of this copper MOF is for instance very similar to the relative …”

Design, synthesis and characterization of MOF-199 and ZIF-8: Applications in the adsorption of phenols derivatives in aqueous solution

“…The algoritm of the geometric optimization was Steepest descent (RMS gradient 0.1 kcal Å/mol and 1785 maximum cycles). The optimized calculations were performed using Hyperchem 8.0.10 molecular modeling program [49][50][51][52][53].…”