Molecular dynamic theories in chromatography

Research output: Contribution to journalArticle

43 Citations (Scopus)

Abstract

The molecular dynamic model of chromatography is a microscopic model that consists of two fundamental processes: (i) the random migration of the molecules in the mobile phase, and (ii) the random adsorption-desorption of molecules on the stationary phase. The diffusion and drift of the molecules in the mobile phase is usually described with a simple one-dimensional random walk. The adsorption-desorption process is modeled most of the time by a Poisson process that assumes exponential sojourn times of the molecules in both the mobile and the stationary phases. The molecular dynamic model of chromatography can simply be used to characterize the chromatographic process on heterogeneous stationary phases. It has been applied to reversed phase, chiral, size-exclusion, and ion-exchange separations.

Original languageEnglish
Pages (from-to)20-41
Number of pages22
JournalJournal of Chromatography A
Volume1184
Issue number1-2
DOIs
Publication statusPublished - Mar 14 2008

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Molecular Models
Molecular Dynamics Simulation
Chromatography
Adsorption
Molecular dynamics
Molecules
Ion Exchange
Dynamic models
Desorption
Ion exchange

Keywords

  • Microscopic theory of chromatography
  • Molecular dynamic theory
  • Monte Carlo simulation
  • Poisson process
  • Stochastic theory

ASJC Scopus subject areas

  • Analytical Chemistry

Cite this

Molecular dynamic theories in chromatography. / Felinger, A.

In: Journal of Chromatography A, Vol. 1184, No. 1-2, 14.03.2008, p. 20-41.

Research output: Contribution to journalArticle

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