Single Quality Factor for Enthalpy-Entropy Compensation, Isoequilibrium and Isokinetic Relationships

Griessen, Ronald; Boelsma, Christiaan; Schreuders, Herman; Broedersz, Chase P.; Gremaud, Robin und Dam, Bernard (2020): Single Quality Factor for Enthalpy-Entropy Compensation, Isoequilibrium and Isokinetic Relationships. In: Chemphyschem, Bd. 21, Nr. 15: S. 1632-1643

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 ofCQFis furthermore a direct measure of the existence of a genuine isoequilibrium or isokinetic relationship.

• Dokumententyp: Zeitschriftenartikel
• Fakultät: Physik
• Themengebiete: 500 Naturwissenschaften und Mathematik > 530 Physik
• ISSN: 1439-4235
• Sprache: Englisch