A simple, physically intuitive alternative for fitting temperature-dependent kinetic data

E Elizabeth R. Bartlett (Department of Chemistry, University of Kansas , Lawrence, Kansas 66045,) W Ward H. Thompson (Department of Chemistry, University of Kansas , Lawrence, Kansas 66045,)

Abstract

A new “global Arrhenius” approach for fitting temperature-dependent data, inspired by a dynamical Maxwell relation, is introduced as an alternative to the widely used Vogel–Fulcher–Tammann (VFT) and Arrhenius equations. The proposed form is general and provides a thermodynamically motivated description of temperature dependence in which all the parameters have a clear physical interpretation. To illustrate its utility, it is applied to temperature-dependent kinetic data, including diffusion coefficients, viscosity, and solution conductivity for a series of molecular systems, where it produces fits of comparable quality relative to the VFT and Arrhenius equations. Importantly, the resulting parameters exhibit systematic trends with molecular characteristics, e.g., alkyl chain length, enabling a direct physical interpretation of the driving forces of dynamics in terms of underlying thermodynamic properties.

Article Details

Volume / Issue Vol. 164, Issue 24
Published June 28, 2026
ISSN 0021-9606
Publisher American Institute of Physics

Journal Info

The Journal of Chemical Physics

American Institute of Physics

ISSN: 0021-9606 Physical Sciences

Authors (2)

E

Elizabeth R. Bartlett

Department of Chemistry, University of Kansas , Lawrence, Kansas 66045,

W

Ward H. Thompson

Department of Chemistry, University of Kansas , Lawrence, Kansas 66045,