EVALUATION OF MULTICOMPONENT KINETIC-ANALYSIS DATA BY A PARTIAL LEAST-SQUARES CALIBRATION METHOD

A partial least squares (PLS) calibration method is suggested for the evaluation of multicomponent kinetic data. The advantage is that no ki netic model is assumed and only the information from the kinetic curve s themselves is used. In the procedure proposed, a model is developed from samples of known composition, i.e., a calibration set, and is the n used to predict unknowns, i.e., concentrations of the components in a test set. The use of the PLS method for multicomponent kinetic analy sis is demonstrated on several simulated and experimental data. It was shown that it is possible to determine analytes in mixtures without a ny previous knowledge either of the rate constants, mechanism of the r eactions or molar absorptivities of the components. The method has bee n validated on several two- and three-component simulated data and app lied to the simultaneous kinetic determination of Co and V and the sto pped-flow flow injection determination of Zn, Co and Fe.