Molecular simulation studies of reversed-phase liquid chromatography

► A review with a focus on molecular insights obtained from recent molecular simulations. ► Background on molecular simulation techniques and system set-up. ► Discussion of effects caused by changes in mobile-phase composition and grafting density. ► Discussion of effects caused by changes in chain...

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Bibliographic Details
Published in:	Journal of Chromatography A Vol. 1287; pp. 60 - 82
Main Authors:	Lindsey, Rebecca K., Rafferty, Jake L., Eggimann, Becky L., Siepmann, J. Ilja, Schure, Mark R.
Format:	Journal Article
Language:	English
Published:	Amsterdam Elsevier B.V 26.04.2013 Elsevier
Subjects:	Algorithms Analytical chemistry Bonding Chemistry Chromatographic methods and physical methods associated with chromatography Chromatography Chromatography, Reverse-Phase - methods Computer simulation Dynamical systems Dynamics Exact sciences and technology Liquid chromatography mechanics Molecular dynamics Molecular Dynamics Simulation Molecular simulation Monte Carlo Monte Carlo Method Monte Carlo methods Nanopores Other chromatographic methods Particle Size Porosity Retention mechanisms Reversed-phase liquid chromatography Silicon Dioxide - chemistry solvents sorption Stationary phase structure Molecular simulation Molecular dynamics Stationary phase structure Reversed-phase liquid chromatography Monte Carlo Retention mechanisms Monte Carlo method Chromatographic retention Molecular dynamics method HPLC chromatography Theoretical study Review Modeling Mechanism Reversed phase chromatography Molecular model Bonded stationary phase
ISSN:	0021-9673, 1873-3778, 1873-3778
Online Access:	Get full text
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