Adsorption of Gases in Metal Organic Materials:  Comparison of Simulations and Experiments

Molecular simulations using standard force fields have been carried out to model the adsorption of various light gases on a number of different metal organic framework-type materials. The results have been compared with the available experimental data to test the validity of the model potentials. We...

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Veröffentlicht in:The journal of physical chemistry. B 2005-07, Vol.109 (27), p.13094-13103
Hauptverfasser: Garberoglio, Giovanni, Skoulidas, Anastasios I, Johnson, J. Karl
Format: Artikel
Sprache:eng
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