Journal
ANALYTICA CHIMICA ACTA
Volume 693, Issue 1-2, Pages 26-34Publisher
ELSEVIER SCIENCE BV
DOI: 10.1016/j.aca.2011.03.022
Keywords
Rank annihilation factor analysis; Second-order kinetics; Rank deficiency; Hard-modeling
Categories
Ask authors/readers for more resources
In this study several methods are described to determine the rate constant of a second-order reaction in the form of A + B -> C. These approaches allow circumventing a rank deficiency inherent of a second-order reaction when the spectroscopic data is influenced by additional source of variance. Classically, to determine the unknown rate constant in this kind of systems, one needs to have extra knowledge about the system, including the spectra of the reactants or product and the exact kinetics. In the case of the presence of an unknown phenomenon in the data set that cannot be explained by the model, such as baseline drift, the estimated rate constant might be erroneous. Present work is a modification of the rank annihilation factor analysis (RAFA) algorithm by inclusion of I) pure spectra of reactants, or IIA) mean centering step, or IIB) mean spectrum. The proposed methods can interestingly be applied on a single kinetic run. The performances of the new methods have been evaluated by applying them to analysis of simulated and experimental data. (C) 2011 Elsevier B.V. All rights reserved.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available