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Monte Carlo simulation of the enantioseparation process

Author

Listed:
  • Bustos, V.A.
  • Acosta, G.
  • Gomez, M.R.
  • Pereyra, V.D.

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.

Suggested Citation

  • Bustos, V.A. & Acosta, G. & Gomez, M.R. & Pereyra, V.D., 2012. "Monte Carlo simulation of the enantioseparation process," Physica A: Statistical Mechanics and its Applications, Elsevier, vol. 391(18), pages 4389-4396.
    • Handle: RePEc:eee:phsmap:v:391:y:2012:i:18:p:4389-4396
    DOI: 10.1016/j.physa.2012.04.004
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