Use of COSMO‐RS for the prediction of adsorption equilibria

descriptionPublicationkeyboard_double_arrow_right Article 01 May 2002 English Publisher:WileyJournal:AIChE Journal, volume 48, pages 1,093-1,099 (issn: 0001-1541, eissn: 1547-5905,

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Authors: Mehler, C.; Klamt, A.; Peukert, W.;

doi: 10.1002/aic.690480518

Use of COSMO‐RS for the prediction of adsorption equilibria

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Abstract

AbstractThe novel method COSMO‐RS for the calculation of thermodynamic partition equilibria based on quantum chemical calculations is applied for the first time to the correlation and prediction of adsorption equilibria. In the limit of small adsorbate concentrations, very good predictions have been achieved for adsorption equilibria of activated carbon for both the phase and the aqueous phase.

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Technical University of Munich
Germany
TECHNISCHE UNIVERSITAET MUENCHEN
Germany

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