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Single Quality Factor for Enthalpy‐Entropy Compensation, Isoequilibrium and Isokinetic Relationships
Author(s) -
Griessen Ronald,
Boelsma Christiaan,
Schreuders Herman,
Broedersz Chase P.,
Gremaud Robin,
Dam Bernard
Publication year - 2020
Publication title -
chemphyschem
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.016
H-Index - 140
eISSN - 1439-7641
pISSN - 1439-4235
DOI - 10.1002/cphc.202000390
Subject(s) - enthalpy , thermodynamics , entropy (arrow of time) , compensation (psychology) , statistical physics , atmospheric temperature range , chemistry , statistical analysis , mathematics , statistics , physics , psychology , psychoanalysis
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.

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