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Modeling kinetic spectrophotometric data of aminophenol isomers by PARAFAC2 by Jacqueline M. Dueñas Cueva; Adriana V. Rossi; Ronei J. Poppi is a Chemistry article available to read on EtoBox.

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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 NaNO in acid solution. The 2 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.

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Author

Jacqueline M. Dueñas Cueva; Adriana V. Rossi; Ronei J. Poppi

Publisher

Elsevier Science; Elsevier ; Elsevier BV (ISSN 0169-7439)

Published

2001

Language

EN

Field

Chemistry (Physical Sciences)