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Article Dans Une Revue Langmuir Année : 2009

Heats of Adsorption for Seven Gases in Three Metal-Organic Frameworks: Systematic Comparison of Experiment and Simulation

Résumé

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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Catalyse
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Dates et versions

hal-00431147 , version 1 (10-11-2009)

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D. Farrusseng, C. Daniel, C. Gaudillere, U. Ravon, Y. Schuurman, et al.. Heats of Adsorption for Seven Gases in Three Metal-Organic Frameworks: Systematic Comparison of Experiment and Simulation. Langmuir, 2009, 25 (13), pp.7383-7388. ⟨10.1021/la900283t⟩. ⟨hal-00431147⟩
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