0000000001206154

AUTHOR

J.f. Bea Redón

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A new algorithm for the kinetic data analysis

2000

Abstract In this paper, a new algorithm for the kinetic data analysis is presented. The main objective of the algorithm is to retrieve the maximum information concerned with a multi-response complex chemical system evolving in time, in order to retrieve the rate constants (calibration problem) or the initial concentration of species. As a difference with other data treatments found in the literature, the algorithm is able to estimate the uniqueness and reliability of the calculated rate constants. This task is carried out by analyzing of the principal components of the sensitivity coefficients with regard to the rate constants. The analysis allows understanding whether the located stationar…

Process Chemistry and TechnologyOdeFunction (mathematics)Stationary pointComputer Science ApplicationsAnalytical ChemistryNumerical integrationMaxima and minimaOrdinary differential equationUniquenessConstant (mathematics)AlgorithmSpectroscopySoftwareMathematicsChemometrics and Intelligent Laboratory Systems
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