Understanding Inflections and Steps in Carbon Dioxide Adsorption Isotherms in Metal-Organic Frameworks

Adsorption isotherms for CO2 in IRMOF-1 exhibit inflections that grow into pronounced steps at lower temperatures. The isotherm shapes can be predicted by molecular simulations using a rigid crystal structure, indicating that changes in the MOF crystal structure are not responsible for the steps in...

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Bibliographic Details
Published in:Journal of the American Chemical Society 2008-01, Vol.130 (2), p.406-407
Main Authors: Walton, Krista S, Millward, Andrew R, Dubbeldam, David, Frost, Houston, Low, John J, Yaghi, Omar M, Snurr, Randall Q
Format: Article
Language:English
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Summary:Adsorption isotherms for CO2 in IRMOF-1 exhibit inflections that grow into pronounced steps at lower temperatures. The isotherm shapes can be predicted by molecular simulations using a rigid crystal structure, indicating that changes in the MOF crystal structure are not responsible for the steps in this system.
ISSN:0002-7863
1520-5126
DOI:10.1021/ja076595g