Use of COSMO-RS for the prediction of adsorption equilibria

Peukert W, Mehler C, Klamt A (2002)

Publication Language: English

Publication Type: Journal article

Publication year: 2002

Journal

AIChE Journal Wiley-Blackwell

Publisher: Wiley-Blackwell

Book Volume: 48

Pages Range: 1093-1099

Journal Issue: 5

DOI: 10.1002/aic.690480518

Abstract

The 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.

Authors with CRIS profile

Wolfgang Peukert Lehrstuhl für Feststoff- und Grenzflächenverfahrenstechnik

Involved external institutions

Technische Universität München (TUM) DE Germany (DE)

How to cite

APA:

Peukert, W., Mehler, C., & Klamt, A. (2002). Use of COSMO-RS for the prediction of adsorption equilibria. AIChE Journal, 48(5), 1093-1099. https://doi.org/10.1002/aic.690480518

MLA:

Peukert, Wolfgang, Carsten Mehler, and Andreas Klamt. "Use of COSMO-RS for the prediction of adsorption equilibria." AIChE Journal 48.5 (2002): 1093-1099.

BibTeX: Download