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Cited by 231

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

Farrusseng, David, Daniel, Cécile, Gaudillère, Cyril, Ravon, Ugon, Schuurman, Yves, Mirodatos, Claude, Dubbeldam, David, Frost, Houston, Snurr, Randall Q.·2009·Langmuir

Abstract

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.

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Metadata

Authors
Farrusseng, D., Daniel, C., Gaudillère, C., Ravon, U., Schuurman, Y., Mirodatos, C., Dubbeldam, D., Frost, H., & Snurr, R. Q.
Venue
Langmuir
Published
2009-06-04
Volume
25
Issue
13
Pages
7383-7388
ISSN
  • 0743-7463 (ISSN-L)
  • 1520-5827
OpenAlex
W2046139672
Cited by
231
References
1
FWCI
12.78
Type
journal article
Language
en
Open access
closed

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