Modeling kinetic spectrophotometric data of aminophenol isomers by PARAFAC2

This paper describes an application of PARAFAC2 in the modeling of kinetic-spectrophotometric data. The data were obtained by spectrophotometric monitoring of the reaction between aminophenol isomers and NaNO2 in acid solution. The data set of various samples produces a three-way data array. This reaction has the property that isomers in different proportions produce different kinetic profiles. Due this property, PARAFAC2 is suitable to model the system because it does not assume parallel proportional kinetic profiles. The results with PARAFAC2 were satisfactory, it being possible to recover the spectral and kinetic profiles, as well as the initial isomer concentrations with good accuracy.