Influence of Extra-Framework Cations on the Adsorption Properties of X-Faujasite Systems:  Microcalorimetry and Molecular Simulations

2005 ◽  
Vol 109 (1) ◽  
pp. 125-129 ◽  
Author(s):  
G. Maurin ◽  
Ph. Llewellyn ◽  
Th. Poyet ◽  
B. Kuchta
Keyword(s):  
Molecular Simulations ◽  
Adsorption Properties

scholarly journals Understanding static, dynamic and cooperative porosity in molecular materials

2016 ◽  
Vol 7 (8) ◽  
pp. 4875-4879 ◽  
Author(s):  
Daniel Holden ◽  
Samantha Y. Chong ◽  
Linjiang Chen ◽  
Kim E. Jelfs ◽  
Tom Hasell ◽  
...  
Keyword(s):  
Molecular Simulations ◽  
Adsorption Properties ◽  
Adsorption Behavior ◽  
Porous Solids ◽  
Molecular Materials

The practical adsorption properties of molecular porous solids can be dominated by dynamic flexibility but these effects are still poorly understood. Here, we combine molecular simulations and experiments to rationalize the adsorption behavior of a flexible porous organic cage.

Predictions of Hg0 and HgCl2 Adsorption Properties in UiO-66 from Flue Gas Using Molecular Simulations

2019 ◽  
Vol 123 (10) ◽  
pp. 5972-5979 ◽  
Author(s):  
Hongjian Tang ◽  
Hanjun Fang ◽  
Yufeng Duan ◽  
David S. Sholl
Keyword(s):  
Flue Gas ◽  
Molecular Simulations ◽  
Adsorption Properties

scholarly journals Unravelling the water adsorption in a robust iron carboxylate metal–organic framework

2020 ◽  
Vol 56 (67) ◽  
pp. 9628-9631
Author(s):  
Dirk Lenzen ◽  
Jakob G. Eggebrecht ◽  
Paulo G. M. Mileo ◽  
Dominik Fröhlich ◽  
Stefan Henninger ◽  
...  
Keyword(s):  
Water Adsorption ◽  
Metal Organic Framework ◽  
Scale Up ◽  
Molecular Simulations ◽  
Adsorption Properties ◽  
Metal Organic ◽  
Iron Carboxylate ◽  
Organic Framework

Scale-up of an Fe-MOF and elucidation of its water adsorption properties by PXRD, sorption measurements and molecular simulations are reported.

Effect of gas-dynamic phenomena on adsorption properties of coal in Krasnolimanskaya Mine

2018 ◽  
Vol 11 ◽  
pp. 46-55
Author(s):  
E.V. Ulyanova ◽  
◽  
V.A. Vasilkovskiy ◽  
O.N. Malinnikova ◽  
◽  
...  
Keyword(s):  
Adsorption Properties ◽  
Gas Dynamic ◽  
Dynamic Phenomena
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