Error-Compensated Kinetic Determinations in Systems of Mixed First- and Second-Order Reactions, without Prior Knowledge of Reaction Constants

Israel Schechter; Hartmut Schröder

doi:10.1021/ac00027a015

Error-Compensated Kinetic Determinations in Systems of Mixed First- and Second-Order Reactions, without Prior Knowledge of Reaction Constants

Israel Schechter^*, Hartmut Schröder

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

19 Scopus citations

Abstract

An algorithm for kinetic determination of substance A, by detection of the product C, produced by simultaneously firstand second-order reactions Is suggested (A → C and A + B → C). The algorithm (based on the Levenberg-Marquardt method for nonlinear least-squares fit) Is evaluated by simulating experimental data with various levels of noise. The Influence of the noise level as well as the range of the rate constants, time domain of the detection of C, and other parameters are studied, and the error-compensating ability of the algorithm Is demonstrated. This algorithm Is suitable for a wide range of the parameters, and only a poor estimation of them is needed for convergence.

Original language	English
Pages (from-to)	325-329
Number of pages	5
Journal	Analytical Chemistry
Volume	64
Issue number	3
DOIs	https://doi.org/10.1021/ac00027a015
State	Published - 1992
Externally published	Yes

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title = "Error-Compensated Kinetic Determinations in Systems of Mixed First- and Second-Order Reactions, without Prior Knowledge of Reaction Constants",

abstract = "An algorithm for kinetic determination of substance A, by detection of the product C, produced by simultaneously firstand second-order reactions Is suggested (A → C and A + B → C). The algorithm (based on the Levenberg-Marquardt method for nonlinear least-squares fit) Is evaluated by simulating experimental data with various levels of noise. The Influence of the noise level as well as the range of the rate constants, time domain of the detection of C, and other parameters are studied, and the error-compensating ability of the algorithm Is demonstrated. This algorithm Is suitable for a wide range of the parameters, and only a poor estimation of them is needed for convergence.",

author = "Israel Schechter and Hartmut Schr{\"o}der",

year = "1992",

doi = "10.1021/ac00027a015",

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pages = "325--329",

journal = "Analytical Chemistry",

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publisher = "American Chemical Society",

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T1 - Error-Compensated Kinetic Determinations in Systems of Mixed First- and Second-Order Reactions, without Prior Knowledge of Reaction Constants

AU - Schechter, Israel

AU - Schröder, Hartmut

PY - 1992

Y1 - 1992

N2 - An algorithm for kinetic determination of substance A, by detection of the product C, produced by simultaneously firstand second-order reactions Is suggested (A → C and A + B → C). The algorithm (based on the Levenberg-Marquardt method for nonlinear least-squares fit) Is evaluated by simulating experimental data with various levels of noise. The Influence of the noise level as well as the range of the rate constants, time domain of the detection of C, and other parameters are studied, and the error-compensating ability of the algorithm Is demonstrated. This algorithm Is suitable for a wide range of the parameters, and only a poor estimation of them is needed for convergence.

AB - An algorithm for kinetic determination of substance A, by detection of the product C, produced by simultaneously firstand second-order reactions Is suggested (A → C and A + B → C). The algorithm (based on the Levenberg-Marquardt method for nonlinear least-squares fit) Is evaluated by simulating experimental data with various levels of noise. The Influence of the noise level as well as the range of the rate constants, time domain of the detection of C, and other parameters are studied, and the error-compensating ability of the algorithm Is demonstrated. This algorithm Is suitable for a wide range of the parameters, and only a poor estimation of them is needed for convergence.

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M3 - 文章

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EP - 329

JO - Analytical Chemistry

JF - Analytical Chemistry

IS - 3

ER -

Error-Compensated Kinetic Determinations in Systems of Mixed First- and Second-Order Reactions, without Prior Knowledge of Reaction Constants

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