A computational study of the chromatographic separation of racemic mixtures |
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| Authors: | A. M. Edge D. M. Heaton K. D. Bartle A. A. Clifford P. Myers |
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| Affiliation: | (1) School of Chemistry, University of Leeds, LS2 9JT Leeds, UK;(2) Deeside Industrial Park, Phase Separations Ltd., CH5 2NU Clwyd, UK |
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| Abstract: | Summary A model is devised using molecular mechanics to simulate chromatographic separations of enantiomers. Theoretical results derived from this model are compared with experimental findings obtained using supercritical fluid chromatography. The model is then developed to incorporate the effects of binding the stationary phase to a matrix. Computed results show that addition of the matrix into the model has significant effects on the ability of the stationary phase to separate racemic mixtures. |
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| Keywords: | Supercritical fluid chromatography Molecular mechanics Chiral stationary phase Matrix interaction |
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