Heats of adsorption for seven gases in three metal-organic frameworks : systematic comparison of experiment and simulation

The heat of adsorption is an important parameter for gas separation and storage applications in porous materials such as metal-organic frameworks (MOFs). There are, however, few systematic studies available in the MOF literature. Many papers report results for only one MOF and often only for a singl...

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Veröffentlicht in:Langmuir : the ACS journal of surfaces and colloids. - 1992. - 25(2009), 13 vom: 07. Juli, Seite 7383-8
1. Verfasser: Farrusseng, David (VerfasserIn)
Weitere Verfasser: Daniel, Cécile, Gaudillère, Cyril, Ravon, Ugon, Schuurman, Yves, Mirodatos, Claude, Dubbeldam, David, Frost, Houston, Snurr, Randall Q
Format: Online-Aufsatz
Sprache:English
Veröffentlicht: 2009
Zugriff auf das übergeordnete Werk:Langmuir : the ACS journal of surfaces and colloids
Schlagworte:Journal Article
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520 |a The heat of adsorption is an important parameter for gas separation and storage applications in porous materials such as metal-organic frameworks (MOFs). There are, however, few systematic studies available in the MOF literature. Many papers report results for only one MOF and often only for a single gas. In this work, systematic experimental measurements by TAP-2 are reported for the heats of adsorption of seven gases in three MOFs. The gases are Kr, Xe, N2, CO2, CH4, n-C4H10, and i-C4H10. The MOFs studied are IRMOF-1, IRMOF-3, and HKUST-1. The data set provides a valuable test for molecular simulation. The simulation results suggest that structural differences in HKUST-1 experimental samples may lead to differing heats of adsorption 
650 4 |a Journal Article 
700 1 |a Daniel, Cécile  |e verfasserin  |4 aut 
700 1 |a Gaudillère, Cyril  |e verfasserin  |4 aut 
700 1 |a Ravon, Ugon  |e verfasserin  |4 aut 
700 1 |a Schuurman, Yves  |e verfasserin  |4 aut 
700 1 |a Mirodatos, Claude  |e verfasserin  |4 aut 
700 1 |a Dubbeldam, David  |e verfasserin  |4 aut 
700 1 |a Frost, Houston  |e verfasserin  |4 aut 
700 1 |a Snurr, Randall Q  |e verfasserin  |4 aut 
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