Unravelling the water adsorption in a robust iron carboxylate metal–organic framework

Abstract

A Fe-MOF was obtained from aqueous solution in high yield under reflux. The water sorption properties were studied by powder X-ray diffraction, volumetric and gravimetric sorption experiments and molecular simulations....

H2S Stability of Metal–Organic Frameworks: A Computational Assessment

“…Typically, the performances of MOFs are promising to solve challenges in critical industrial applications such as CO 2 capture, ,, flue gas scrubbing, − and natural gas (NG) and refinery off-gas (ROG) upgrading. − This critically calls for a systematic exploration of the stability of the best MOFs upon exposure to impurities present in the associated flue gas streams , such as H 2 O, H 2 S, SO x , and NO x , among others to meet the industry’s expectation in this field . While the stability of MOFs upon water adsorption is routinely assessed from both experimental − and modeling − standpoints, this is far to be the case under harsh conditions as for instance in the presence of acidic and basic species . Only a small fraction of MOFs promising for CO 2 capture and natural gas or biogas purification has been tested in terms of stability upon exposure to NO x , SO x , H 2 S, and NH 3 . − Specifically, related to H 2 S, while a series of MOFs have been envisaged for the capture of this highly toxic molecule, ,,,− such as MIL-53­(Al, Cr) and MIL-47­(V), , soc-MOF, kag-MOF-1, MIL-125­(Ti), UiO-66, Mg-CUK-1, MIL-53­(Al)-FA, MFM-300­(Sc), and MIL-53­(Al)-TDC, the H 2 S stability of only a very few promising MOFs for the applications mentioned above, e.g., KAUST-7, KAUST-8, kag-MOF-1, soc-MOF, MIL-125­(Ti), and MOF-74­(Ni), has been verified.…”

Incorporation of free halide ions stabilizes metal–organic frameworks (MOFs) against pore collapse and renders large-pore Zr-MOFs functional for water harvesting

“…Porous materials, such as metal-organic frameworks (MOFs), have shown promising water-vapor adsorption properties that are relevant for many applications (e.g., heat pumps, chillers, humidity control, hydrolytic catalysis, water harvesting from air) depending on the relative humidity (RH) where uptake occurs. [1][2][3][4][5][6][7][8][9][10][11][12] Chemical and mechanical hydrolytic stability of MOFs in the presence of water, 2,5,[13][14][15][16][17] and during water removal, are prerequisites for these applications. 18 For water-harvesting from air, humidity is spontaneously captured from air, and condensed as liquid water within interior nanostructured pores of the crystalline MOF.…”

A robust eco-compatible microporous iron coordination polymer for CO2 capture

“…14,[16][17][18][19] So far, Fe(III) MOFs of different architectures, such as the MIL-n (MIL-53, MIL-59, MIL-88, MIL-100, and MIL-101) series, the Fe-soc-MOF or Fe 4 (m 3 -O) 2 (BTB) 8/3 (DMF) 2 (H 2 O) 2 , have been designed by assembling either di-, tri-, tetranuclear clusters or Fe-hydroxy chains as SBUs and polycarboxylate aromatic moieties as organic linkers. 18,[20][21][22][23] Fe(III) sites were also introduced in the organic backbone of MOFs by using Fe(III) porphyrin ligands (PCN-223, PCN-224, and PCN-600). [24][25][26] The Fe(III)-phosphonate MOFs such as Fe-CAU-53 were also recently reported.…”