期刊
LANGMUIR
卷 25, 期 13, 页码 7383-7388出版社
AMER CHEMICAL SOC
DOI: 10.1021/la900283t
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资金
- TopCombi [NMP2-CT2005-515792]
- U.S. National Science Foundation [CTS-0507013]
- TeraGrid
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, N-2, 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.
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