Abstract
Enthalpy-entropy compensation (EEC) is very often encountered in chemistry, biology and physics. Its origin is widely discussed since it would allow, for example, a very accurate tuning of the thermodynamic properties as a function of the reactants. However, EEC is often discarded as a statistical artefact, especially when only a limited temperature range is considered. We show that the likeliness of a statistical origin of an EEC can be established with a compensation quality factor (CQF) that depends only on the measured enthalpies and entropies and the experimental temperature range. This is directly derived from a comparison of the CQF with threshold values obtained from a large number of simulations with randomly generated Van ‘t Hoff plots. The value of CQF is furthermore a direct measure of the existence of a genuine isoequilibrium or isokinetic relationship.
Original language | English |
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Pages (from-to) | 1632-1643 |
Number of pages | 12 |
Journal | ChemPhysChem |
Volume | 21 |
Issue number | 15 |
DOIs | |
Publication status | Published - 2020 |
Bibliographical note
Accepted Author ManuscriptKeywords
- Compensation
- hydrides
- kinetics
- statistics
- thermodynamics