Abstract

Activated complex theory (ACT) has been applying as an effective tool to connect the kinetics (reaction rate constant, k) and thermodynamics parameters (including standard enthalpy of activation, ΔH++; standard entropy of activation, ΔS++; standard Gibbs free energy of activation, ΔG++) especially when evaluating lipid oxidation. The unit of the Planck’s constant (hP) in ACT is Jžs, in which the time unit is the second (s). The failure to correctly cancel the time units could have a significant impact on the predicted standard entropy of activation. Considering there were some improper calculations or mistakes often found in papers published recently in 2014‒2019, this abstract was thus presented. Raw data obtained from the published papers mainly in 2014‒2019 accordingly were used to calculate the corrected thermodynamics parameters. Unit conversions (1 h=60 min=3600 s) should always be explicitly included when calculating ΔS++ using ACT especially for the first-order reactions. That is, an increase in the reported calculated values of ΔS++ in the ACT by 34.041609 and 68.083218 J/(mol·K) can be found for the units of kinetic constants min‒1 and h‒1 in a first-order reaction, respectively. Thus, this abstract seems to be vital important to improve the correct use of ACT. In conclusion, the inconsistent units did exist to a large degree after reviewing several published papers, the abstract is expected to further improve the understanding and application of the well-known theory and further accelerate the practical applications of the scientific investigations for lipid oxidation evaluation.

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