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DOE OSTI · 2348868

Rate Equations for Reversible Disproportionation Reactions and Fitting to Time-Course Data

Gerken, James B.·Stamoulis, Alexios·MacDonnell, Madeline L.·Stahl, Shannon S.
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Abstract

Integrated rate equations are straightforward to fit to experimental data to verify a proposed mechanism and to extract kinetic parameters. Such equations are derived for reversible disproportionation/comproportionation reactions with any set of initial concentrations. Extraction of forward and reverse rate constants from experimental data by fitting the rate law to the data is demonstrated for the disproportionation of 2,2,6,6-tetramethyl-1-piperidinyl-N-oxyl (TEMPO) under acidic conditions where the approach to equilibrium is observed.

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37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRYEquilibriumKinetic parametersKineticsOxidation reactionsRedox reactions

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Gerken, James B., Stamoulis, Alexios, MacDonnell, Madeline L., Stahl, Shannon S.. 2023-12-29. Rate Equations for Reversible Disproportionation Reactions and Fitting to Time-Course Data. https://doi.org/10.1021/acs.jpca.3c05232

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