Thermokinetic Description of the Heat Capacity Change at the Glass Transition: 1. Can Glass Transition Kinetics Be Adequately Described by a Single Activation Energy? 2. Can the Glass Transition Temperature Be Predicted from Basic Physical Parameters? 3. What is the Role of Heat Capacity in the Vogel–Fulcher–Tammann Equation Describing Primary Relaxation in Glasses?
Year: 2025
Type: article
Abstract: By coupling non-equilibrium thermodynamics with solid-state kinetics, a description of the heat capacity (cP) evolution as a function of the temperature (T) is derived that can be used to supplant commonly used empirical models. In addition to accurately describing the characteristic sigmoidal shape in the vicinity of the glass transition temperature (Tg), the proposed equation predicts a relaxation enthalpy peak to arise when either the enthalpy change of system relaxation is large or when the relaxation rate is fast. Such thermal events are often detected for amorphous compounds that have been annealed or stored for extended times. The activation energy of relaxation (E) is readily determined using different heating rates. Lastly, simple relationships are put forth to demonstrate the utility of cP in predicting both Tg and the empirical parameter, B, in the Vogel-Fulcher-Tammann (VFT) equation widely used to describe primary relaxation in glasses.
Author: Peter J. Skrdla
Institutions: Schrodinger (United States), Villanova University
Language: English
Subfield: Materials Chemistry
Field: Materials Science
Domain: Physical Sciences
Open Access status: green
Funder: Villanova University
OpenAlex ID: W4417153775