Kinetics and equilibrium of multicomponent adsorption on chiraly templated surfaces

✍ Scribed by Paweł Szabelski; Julian Talbot

• Publisher: John Wiley and Sons
• Year: 2004
• Tongue: English
• Weight: 337 KB
• Volume: 25
• Category: Article
• ISSN: 0192-8651
• DOI: 10.1002/jcc.20107

✦ Synopsis

Abstract

In this contribution we propose a simple model of adsorption of a binary (racemic) mixture on a chiraly templated surface. As an example, the adsorption of a liquid mixture of enantiomers on a chiral stationary phase (CSP) is considered. In particular, we study the effect of the lateral interactions in the adsorbed phase on the kinetic and equilibrium isotherms of the enantiomers. Additionally, we investigate the influence of the composition of the surface on the performance of the CSP in the presence of the lateral interactions. To that end, the adsorption of the mixture is modeled by using Monte Carlo simulations as well as by applying an analytical approach involving rate equations coupled with the Mean Field Approximation (MFA). The predictions of the theory are found to be in good agreement with the results of the simulations. © 2004 Wiley Periodicals, Inc. J Comput Chem 25: 1779–1786, 2004