Investigating the Gas Sorption Mechanism in an rht-Metal–Organic Framework through Computational Studies

2013 ◽  
Vol 118 (1) ◽  
pp. 439-456 ◽  
Author(s):  
Tony Pham ◽  
Katherine A. Forrest ◽  
Juergen Eckert ◽  
Peter A. Georgiev ◽  
Ashley Mullen ◽  
...  
Keyword(s):  
Metal Organic Framework ◽  
Computational Studies ◽  
Sorption Mechanism ◽  
Gas Sorption ◽  
Metal Organic ◽  
Organic Framework

Investigating gas sorption in an rht-metal–organic framework with 1,2,3-triazole groups

2017 ◽  
Vol 19 (43) ◽  
pp. 29204-29221 ◽  
Author(s):  
Katherine A. Forrest ◽  
Tony Pham ◽  
Brian Space
Keyword(s):  
Force Field ◽  
Metal Organic Framework ◽  
Sorption Mechanism ◽  
Gas Sorption ◽  
Polarizable Force Field ◽  
Metal Organic ◽  
Organic Framework

Detailed insights into the CO2 and H2 sorption mechanism in an rht-metal–organic framework were obtained through simulations using a classical polarizable force field.

Simulations of hydrogen, carbon dioxide, and small hydrocarbon sorption in a nitrogen-rich rht-metal–organic framework

2018 ◽  
Vol 20 (3) ◽  
pp. 1761-1777 ◽  
Author(s):  
Douglas M. Franz ◽  
Zachary E. Dyott ◽  
Katherine A. Forrest ◽  
Adam Hogan ◽  
Tony Pham ◽  
...  
Keyword(s):  
Carbon Dioxide ◽  
Metal Organic Framework ◽  
Sorption Mechanism ◽  
Gas Sorption ◽  
Metal Organic ◽  
First Time ◽  
Organic Framework

Detailed theoretical insights into the gas-sorption mechanism of Cu-TDPAH are presented for the first time.

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

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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