Simultaneous determination of two-component isotherm parameters and lumped mass transfer coefficients in RPLC with the 0-1 model-inverse method.

The 0-1 model-inverse method of nonequilibrium nonlinear chromatography was developed to simultaneously determine the isotherm parameters and the lumped mass transfer coefficients of the two-component systems in RPLC. By comparing the simulated elution curves with experimental curves with regard to profiles and areas, the suitable isotherm parameters and the lumped mass transfer coefficients were obtained with the 0-1 model-inverse method. With a solute cell unit width of 1×10(-3) cm, the average errors of the peak areas were 0.178% for one component and -0.40% for two components, and the numerical diffusions of the 0-1 model for the contribution to band broadening may be negligible. In addition, the results showed that the lumped mass transfer coefficients decrease as the solute concentration increases. The 0-1 model-inverse method has not only the advantages of high calculation speed (less than 10 min for one-component systems or approximately 3 h for two-component systems using an ordinary computer) and high accuracy in simultaneously obtaining thermodynamic parameters and kinetic parameters of two-component systems, but this method also possesses the potential to optimally design and control the time-variant preparative chromatographic system due to the thermodynamic state recursion and the Lagrangian-Eulerian presentation of the 0-1 model.