共 32 条
Unusual Adsorption Behavior on Metal-Organic Frameworks
被引:48
作者:

Fairen-Jimenez, David
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机构:
Univ Edinburgh, Sch Engn, Inst Mat & Proc, Edinburgh, Midlothian, Scotland Univ Edinburgh, Sch Engn, Inst Mat & Proc, Edinburgh, Midlothian, Scotland

Seaton, Nigel A.
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Univ Surrey, Guildford GU2 5XH, Surrey, England Univ Edinburgh, Sch Engn, Inst Mat & Proc, Edinburgh, Midlothian, Scotland

Duren, Tina
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Univ Edinburgh, Sch Engn, Inst Mat & Proc, Edinburgh, Midlothian, Scotland Univ Edinburgh, Sch Engn, Inst Mat & Proc, Edinburgh, Midlothian, Scotland
机构:
[1] Univ Edinburgh, Sch Engn, Inst Mat & Proc, Edinburgh, Midlothian, Scotland
[2] Univ Surrey, Guildford GU2 5XH, Surrey, England
来源:
关键词:
CARBON-DIOXIDE;
MOLECULAR SIMULATION;
HIGH-CAPACITY;
PORE-SIZE;
METHANE;
SEPARATION;
ISOTHERMS;
MIXTURES;
HYDROGEN;
DESIGN;
D O I:
10.1021/la102831e
中图分类号:
O6 [化学];
学科分类号:
0703 ;
摘要:
Metal organic frameworks (MOB) have shown adsorption behavior that is not observed in other microporous materials such as zeolites or activated carbons This study used grand canonical Monte Carlo simulation to evaluate a particular form of behavior, which corresponds to the presence of unusual type V adsorption isotherms Study ()fa series of MOFs in the IRMOF family. containing chemically similar linkers of different length, showed that the presence of type V adsorption depends on a fine balance between the strength of the fluid-fluid and fluid-solid Interactions, which in turn is a strong function of the length of the linker and therefore the pore size A transition from type V behavior to the more common type I behavior is observed as the temperature increases The temperature at which this transition occurs increases, and the transition becomes more diffuse, as the length of the linker increases This type V behavior leads to an interesting possibility in the design of MOF adsorbents for use in gas separation and gas slot age applications
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页码:14694 / 14699
页数:6
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