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A Nonlinear Ordinary Differential Equation for Generating Graphical Rate Equations from Concentration Versus Time Data

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Abstract

When reaction progress kinetic analysis is implemented on data obtained using a spectroscopic or chromatographic technique such as ATR–FTIR, NMR, absorbance spectroscopy, HPLC or GC, an initial step involves fitting a mathematical function to the experimental concentration versus time data. This function is then differentiated to give graphs of rate versus substrate concentration (graphical rate equations). It is important that the function be able to accurately describe the experimental data without introducing bias or artifacts. Here, we put forward a nonlinear ordinary differential equation that can be fitted to experimental concentration versus time data for applications in reaction progress kinetic analysis. We show that it can be applied to data from catalytic transformations showing diverse types of kinetic behavior.

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Acknowledgements

This work was supported by NSERC (Discovery Grant and Canada Research Chairs Programs).

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Authors and Affiliations

  1. Department of Chemistry, University of Toronto, 80 St. George St., Toronto, ON, M5S 3H6, Canada

    Graham E. Garrett & Mark S. Taylor

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  1. Graham E. Garrett
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  2. Mark S. Taylor
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Correspondence to Mark S. Taylor.

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Garrett, G.E., Taylor, M.S. A Nonlinear Ordinary Differential Equation for Generating Graphical Rate Equations from Concentration Versus Time Data. Top Catal 60, 554–563 (2017). https://doi.org/10.1007/s11244-017-0739-7

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