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Application of the general rate model with the Maxwell-Stefan equations for the prediction of the band profiles of the 1-indanol enantiomers
Authors:Krzysztof Kaczmarski  Dongmei Zhou  Georges Guiochon
Affiliation:a Faculty of Chemistry, Rzeszów University of Technology, 35-959 Rzeszów, Poland
b Department of Chemistry, The University of Tennessee, 552 Buehler Hall, Knoxville, TN 37996-1600, USA
c Division of Chemical and Analytical Sciences, Oak Ridge National Laboratory, Oak Ridge, TN, USA
Abstract:The adsorption isotherm data of R- and S-1-indanol and of their racemic mixture on cellulose tribenzoate were measured by frontal analysis. These experimental data were fitted to the single-component and the modified competitive Bilangmuir isotherms. The overloaded elution profiles of bands of the pure enantiomers and of the racemic mixture were calculated for different sample sizes, using the best competitive isotherm model and the General Rate Model of chromatography coupled with the generalized Maxwell-Stefan equation that describes the surface diffusion flux. The calculated and the experimental profiles were found to be in excellent agreement in all cases. The parameters of the model of the mass transfer kinetics were derived from the band profiles obtained for the pure enantiomers. The same values of these parameters give an excellent prediction of the profiles of multicomponent bands. The new model described here allows a satisfactory interpretation of the competitive mass transfer kinetics.
Keywords:Enantiomeric separations   Equilibrium isotherm   Kinetic studies   General rate model   Maxwell-Stefan equation   1-indanol
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