Efficient Models for Predicting Temperature-Dependent Henry’s Constants and Adsorption Selectivities for Diverse Collections of Molecules in Metal–Organic Frameworks

Author(s):  
Xiaohan Yu ◽  
Sihoon Choi ◽  
Dai Tang ◽  
Andrew J. Medford ◽  
David S. Sholl
2007 ◽  
Vol 129 (15) ◽  
pp. 4520-4521 ◽  
Author(s):  
Yu-Bin Dong ◽  
You-Yun Jiang ◽  
Jie Li ◽  
Jian-Ping Ma ◽  
Feng-Ling Liu ◽  
...  

2016 ◽  
Vol 4 (2) ◽  
pp. 529-536 ◽  
Author(s):  
Peyman Z. Moghadam ◽  
David Fairen-Jimenez ◽  
Randall Q. Snurr

A novel and quick computational strategy is developed based on water Henry's constants to distinguish different levels of hydrophobicity among metal–organic frameworks. The technique is applied to a large database of MOFs to identify hydrophobic materials.


2012 ◽  
Vol 48 (4) ◽  
pp. 531-533 ◽  
Author(s):  
Qilong Zhu ◽  
Chaojun Shen ◽  
Chunhong Tan ◽  
Tianlu Sheng ◽  
Shengmin Hu ◽  
...  

2012 ◽  
Vol 12 (6) ◽  
pp. 3263-3270 ◽  
Author(s):  
Hao Wang ◽  
Sui-Jun Liu ◽  
Dan Tian ◽  
Ji-Min Jia ◽  
Tong-Liang Hu

2019 ◽  
Vol 7 (25) ◽  
pp. 7494-7511 ◽  
Author(s):  
Yasuchika Hasegawa ◽  
Yuichi Kitagawa

Historical and recent advances of lanthanide mononuclear complexes, polynuclear clusters, coordination polymers (CPs) and metal–organic frameworks (MOFs) with temperature-dependent luminescence are reviewed for future thermo-sensitive paints.


IUCrJ ◽  
2019 ◽  
Vol 6 (1) ◽  
pp. 85-95 ◽  
Author(s):  
Sujuan Wang ◽  
Zhang-Wen Wei ◽  
Jianyong Zhang ◽  
Long Jiang ◽  
Dingxin Liu ◽  
...  

Metal–organic frameworks with highly ordered porosity have been studied extensively. In this paper, the effect of framework (pore) disorder on the gas sorption of azole-based isoreticular Cu(II) MOFs with rtl topology and characteristic 1D tubular pore channels is investigated for the first time. In contrast to other isoreticular rtl metal–organic frameworks, the Cu(II) metal–organic framework based on 5-(1H-imidazol-1-yl)isophthalate acid has a crystallographically identifiable disordered framework without open N-donor sites. The framework provides a unique example for investigating the effect of pore disorder on gas sorption that can be systematically evaluated. It exhibits remarkable temperature-dependent hysteretic CO2 sorption up to room temperature, and shows selectivity of CO2 over H2, CH4 and N2 at ambient temperature. The unique property of the framework is its disordered structure featuring distorted 1D tubular channels and DMF-guest-remediated defects. The results imply that structural disorder (defects) may play an important role in the modification of the performance of the material.


2015 ◽  
Vol 44 (20) ◽  
pp. 9588-9595 ◽  
Author(s):  
Shanghua Xing ◽  
Guang Zeng ◽  
Xiaomin Liu ◽  
Fen Yang ◽  
Zhiqiang Hao ◽  
...  

Multifunctional luminescent materials of six Ln-MOFs have been designed and synthesized by the co-doping strategy. Thus a wide range of light emitting spectra and different temperature-dependent luminescence behavior were displayed.


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