Prediction of breathing and gate-opening transitions upon binary mixture adsorption in metal-organic frameworks

被引：0
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作者：
Coudert, François-Xavier [1 ]
Mellot-Draznieks, Caroline [2 ]
Fuchs, Alain H. [1 ]
Boutin, Anne [3 ]
机构：
[1] Chimie ParisTech, CNRS, Université Pierre et Marie Curie, 11 rue Curie, F-75005 Paris, France
[2] Department of Chemistry, University College London, 20 Gordon Street, London, WC1H 0AJ, United Kingdom
[3] Laboratoire de Chimie Physique, CNRS, Bât. 349, F-91405 Orsay Cedex, France
来源：
Journal of the American Chemical Society | 2009年 / 131卷 / 32期
关键词：
(Figure Presented) Among the numerous applications of metal-organic frameworks (MOFs); a topical class of nanoporous materials; adsorptive separation is gaining considerable attention. Some of the most exciting candidates for gas separation processes exhibit structural transitions; such as breathing and gate opening. While predictive analytical methods are crucial in separation science and have been widely used for rigid nanoporous solids; a lack exists for materials that exhibit flexibility. We propose here a general method predicting; for the first time; the evolution of structural transitions and selectivity upon adsorption of gas mixtures in flexible nanoporous solids. © 2009 American Chemical Society;
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摘要：
Journal article (JA)
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页码：11329 / 11331
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