Monte Carlo simulation of the enantioseparation process

V.A. Bustos, G. Acosta, M.R. Gomez and V.D. Pereyra

Physica A: Statistical Mechanics and its Applications, 2012, vol. 391, issue 18, 4389-4396

Abstract: By means of Monte Carlo simulation, a study of enantioseparation by capillary electrophoresis has been carried out. A simplified system consisting of two enantiomers S (R) and a selector chiral C, which reacts with the enantiomers to form complexes RC (SC), has been considered. The dependence of Δμ (enantioseparation) with the concentration of chiral selector and with temperature have been analyzed by simulation. The effect of the binding constant and the charge of the complexes are also analyzed. The results are qualitatively satisfactory, despite the simplicity of the model.

Keywords: Electrophoresis; Monte Carlo simulation; Enantiomers separation (search for similar items in EconPapers)
Date: 2012
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Persistent link: https://EconPapers.repec.org/RePEc:eee:phsmap:v:391:y:2012:i:18:p:4389-4396

DOI: 10.1016/j.physa.2012.04.004

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