Predictive models of gas sorption in a metal–organic framework with open-metal sites and small pore sizes

2017 ◽  
Vol 19 (28) ◽  
pp. 18587-18602 ◽  
Author(s):  
Tony Pham ◽  
Katherine A. Forrest ◽  
Douglas M. Franz ◽  
Zhiyong Guo ◽  
Banglin Chen ◽  
...  
Keyword(s):  
Predictive Models ◽  
Binding Sites ◽  
Metal Organic Framework ◽  
Gas Sorption ◽  
Pore Sizes ◽  
Small Pore ◽  
Open Metal Sites ◽  
Metal Organic ◽  
Organic Framework

Simulations of gas sorption in UTSA-20 using highly accurate polarizable potentials reproduced experimental observables and provided insights into the binding sites in the material.

Reversing C2H2–CO2 adsorption selectivity in an ultramicroporous metal–organic framework platform

2019 ◽  
Vol 55 (76) ◽  
pp. 11354-11357 ◽  
Author(s):  
Hui-Min Wen ◽  
Caijun Liao ◽  
Libo Li ◽  
Ling Yang ◽  
Jing Wang ◽  
...  
Keyword(s):  
Binding Sites ◽  
Co2 Adsorption ◽  
Metal Organic Framework ◽  
Fine Tuning ◽  
Adsorption Selectivity ◽  
Pore Sizes ◽  
Metal Organic ◽  
Co2 Adsorption Selectivity ◽  
At Will ◽  
Organic Framework

Fine-tuning the pore sizes, metrics, and binding sites within a MOF platform can reverse the adsorption selectivity between C2H2 and CO2 at will.

Selective CO2 adsorption in a microporous metal–organic framework with suitable pore sizes and open metal sites

2015 ◽  
Vol 2 (6) ◽  
pp. 550-557 ◽  
Author(s):  
Bo Liu ◽  
Ya-Hui Jiang ◽  
Zhi-Sen Li ◽  
Lei Hou ◽  
Yao-Yu Wang
Keyword(s):  
Co2 Adsorption ◽  
Metal Organic Framework ◽  
Porous System ◽  
Uptake Capacity ◽  
Pore Sizes ◽  
Open Metal Sites ◽  
Metal Organic ◽  
High Polarity ◽  
Organic Framework

A new microporous framework was constructed from uncommon ternary SBUs with a rare (5,5,5)-connected topology, which contains pores of suitable sizes and a high polarity porous system, exhibits a higher uptake capacity for CO2 and is highly selective for CO2 over N2 and CH4 gases.

Simulation of the Mechanism of Gas Sorption in a Metal–Organic Framework with Open Metal Sites: Molecular Hydrogen in PCN-61

2012 ◽  
Vol 116 (29) ◽  
pp. 15538-15549 ◽  
Author(s):  
Katherine A. Forrest ◽  
Tony Pham ◽  
Keith McLaughlin ◽  
Jonathan L. Belof ◽  
Abraham C. Stern ◽  
...  
Keyword(s):  
Molecular Hydrogen ◽  
Metal Organic Framework ◽  
Gas Sorption ◽  
Open Metal Sites ◽  
Metal Organic ◽  
Organic Framework

Insights into an intriguing gas sorption mechanism in a polar metal–organic framework with open-metal sites and narrow channels

2014 ◽  
Vol 50 (55) ◽  
pp. 7283-7286 ◽  
Author(s):  
Katherine A. Forrest ◽  
Tony Pham ◽  
Keith McLaughlin ◽  
Adam Hogan ◽  
Brian Space
Keyword(s):  
Metal Organic Framework ◽  
Molecular Simulations ◽  
Sorption Mechanism ◽  
Gas Sorption ◽  
Narrow Channels ◽  
Open Metal Sites ◽  
Metal Organic ◽  
Organic Framework

The metal–organic framework (MOF) [Cu(Me-4py-trz-ia)] exhibits an intriguing sorption mechanism for H2 and CO2 as discerned through molecular simulations.

Microporous Heptazine Functionalized (3,24)-Connected rht-Metal–Organic Framework: Synthesis, Structure, and Gas Sorption Analysis

2014 ◽  
Vol 14 (2) ◽  
pp. 414-418 ◽  
Author(s):  
Ryan Luebke ◽  
Łukasz J. Weseliński ◽  
Youssef Belmabkhout ◽  
Zhijie Chen ◽  
Łukasz Wojtas ◽  
...  
Keyword(s):  
Metal Organic Framework ◽  
Gas Sorption ◽  
Metal Organic ◽  
Organic Framework

Triple Framework Interpenetration and Immobilization of Open Metal Sites within a Microporous Mixed Metal–Organic Framework for Highly Selective Gas Adsorption

2012 ◽  
Vol 51 (9) ◽  
pp. 4947-4953 ◽  
Author(s):  
Zhangjing Zhang ◽  
Shengchang Xiang ◽  
Kunlun Hong ◽  
Madhab, C. Das ◽  
Hadi D. Arman ◽  
...  
Keyword(s):  
Gas Adsorption ◽  
Metal Organic Framework ◽  
Mixed Metal ◽  
Open Metal Sites ◽  
Metal Organic ◽  
Organic Framework

Single Crystal X-ray Diffraction Studies of Carbon Dioxide and Fuel-Related Gases Adsorbed on the Small Pore Scandium Terephthalate Metal Organic Framework, Sc2(O2CC6H4CO2)3

Langmuir ◽  
2009 ◽  
Vol 25 (6) ◽  
pp. 3618-3626 ◽  
Author(s):  
Stuart R. Miller ◽  
Paul A. Wright ◽  
Thomas Devic ◽  
Christian Serre ◽  
Gérard Férey ◽  
...  
Keyword(s):  
Carbon Dioxide ◽  
Single Crystal ◽  
Metal Organic Framework ◽  
X Ray Diffraction ◽  
X Ray ◽  
Small Pore ◽  
Metal Organic ◽  
Organic Framework
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