Molecular dynamic theories in chromatography

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46 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

Keywords

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

ASJC Scopus subject areas

  • Analytical Chemistry
  • Biochemistry
  • Organic Chemistry

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