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

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.

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

scholarly journals Synthesis, Transformation, Catalysis, and Gas Sorption Investigations on the Bismuth Metal-Organic Framework CAU-17

2018 ◽  
Vol 2018 (30) ◽  
pp. 3496-3503 ◽  
Author(s):  
Milan Köppen ◽  
Amarajothi Dhakshinamoorthy ◽  
A. Ken Inge ◽  
Ocean Cheung ◽  
Jonas Ångström ◽  
...  
Keyword(s):  
Metal Organic Framework ◽  
Gas Sorption ◽  
Metal Organic ◽  
Organic Framework

Selective Gas Sorption within a Dynamic Metal-Organic Framework

2007 ◽  
Vol 46 (21) ◽  
pp. 8705-8709 ◽  
Author(s):  
Banglin Chen ◽  
Shengqian Ma ◽  
Eric J. Hurtado ◽  
Emil B. Lobkovsky ◽  
Chengdu Liang ◽  
...  
Keyword(s):  
Metal Organic Framework ◽  
Gas Sorption ◽  
Metal Organic ◽  
Organic Framework
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