A computational study of the chromatographic separation of racemic mixtures
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.
Key WordsSupercritical fluid chromatography Molecular mechanics Chiral stationary phase Matrix interaction
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