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Use of COSMO-RS for the prediction of adsorption equilibria

โœ Scribed by C. Mehler; A. Klamt; W. Peukert

Publisher
American Institute of Chemical Engineers
Year
2002
Tongue
English
Weight
690 KB
Volume
48
Category
Article
ISSN
0001-1541

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โœฆ Synopsis

Abstract

The novel method COSMOโ€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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