Impact of intrinsic framework flexibility for selective adsorption of sarin in non-aqueous solvents using metal–organic frameworks

2020 ◽  
Vol 22 (11) ◽  
pp. 6441-6448 ◽  
Author(s):  
Jongwoo Park ◽  
Mayank Agrawal ◽  
Dorina F. Sava Gallis ◽  
Jacob A. Harvey ◽  
Jeffery A. Greathouse ◽  
...  

We assess the nontrivial deviation in predicting the adsorption selectivity from bulk mixtures of complex molecules using nanoporous adsorbents approximated as rigid and intrinsically flexible.

Author(s):  
Jihyun Lee ◽  
Younghun Kim ◽  
Younghu Son ◽  
Hyehyun Kim ◽  
Yong Nam Choi ◽  
...  

CrystEngComm ◽  
2017 ◽  
Vol 19 (36) ◽  
pp. 5346-5350 ◽  
Author(s):  
Jinjie Qian ◽  
Jinni Shen ◽  
Qipeng Li ◽  
Yue Hu ◽  
Shaoming Huang

The theoretically optimal adsorption locations in hydroxyl (OH)-decorated metal–organic frameworks show that the captured CO2 molecules interact with the cis-μ2-OH groups in an end-on mode, which shows a moderate to weak hydrogen bond.


Author(s):  
Jihyun Lee ◽  
Younghoon Kim ◽  
Younghu Son ◽  
Hyehyun Kim ◽  
Yong Nam Choi ◽  
...  

2021 ◽  
Author(s):  
Adam Sapnik ◽  
Christopher W. Ashling ◽  
Lauren K. Macreadie ◽  
Seok J. Lee ◽  
Tim Johnson ◽  
...  

<div><p>Disordered metal–organic frameworks are emerging as an attractive class of functional materials, however their applications in gas storage and separation have yet to be fully explored. Here, we investigate gas adsorption in the topologically disordered Fe-BTC framework and its crystalline counterpart, MIL‑100. Despite their similar chemistry and local structure, they exhibit very different sorption behaviour towards a range of industrial gases, noble gases and hydrocarbons. Virial analysis reveals that Fe-BTC has enhanced interaction strength with guest molecules compared to MIL‑100. Most notably, we observe striking discrimination between the adsorption of C<sub>3</sub>H<sub>6</sub> and C<sub>3</sub>H<sub>8</sub> in Fe‑BTC, with over a twofold increase in the amount of C<sub>3</sub>H<sub>6</sub> being adsorbed than C<sub>3</sub>H<sub>8</sub>. Thermodynamic selectivity towards a range of industrially relevant binary mixtures is probed using ideal adsorbed solution theory (IAST). Together, this suggests the disordered material may possess powerful separation capabilities that are rare even amongst crystalline frameworks.</p></div>


CrystEngComm ◽  
2020 ◽  
Vol 22 (41) ◽  
pp. 6927-6934
Author(s):  
Ruihong Guo ◽  
Lingling Gao ◽  
Jinxia Liang ◽  
Zhikai Zhang ◽  
Jie Zhang ◽  
...  

Two Cd-MOFs were solvothermally synthesized by mixed-ligand strategy. 1 has the largest adsorption selectivity for CO2. Furthermore, 1 and 2 present sensitive sensing for TNP/Fe3+ in water or soil samples.


2019 ◽  
Vol 271 ◽  
pp. 303-308 ◽  
Author(s):  
Jie Zhang ◽  
Lingling Gao ◽  
Yang Wang ◽  
Lijun Zhai ◽  
Xiaoqing Wang ◽  
...  

2020 ◽  
Vol 59 (46) ◽  
pp. 20561-20567 ◽  
Author(s):  
Anna A. Lysova ◽  
Denis G. Samsonenko ◽  
Konstantin A. Kovalenko ◽  
Anton S. Nizovtsev ◽  
Danil N. Dybtsev ◽  
...  

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