A study of Frenkel frequency and heat capacity as a function of pressure and temperature using a new approach to the phonon theory of liquids

Based on the Maxwell relationship and experimental viscosity data, the phonon theory of liquids can provide a temperature-dependent description of liquid heat capacity that is consistent with experimental data. However, since liquid heat capacity also varies with pressure, we present an alternative approach that can be used to calculate the Frenkel frequency in terms of temperature and pressure by applying the concept of chemical potential under the assumption of a diffusive equilibrium. Using this derived Frenkel frequency, we formulate an analytical expression for the liquid heat capacity in terms of both temperature and pressure, without the need for viscosity data, which is consistent with predictions from the phonon theory of liquids. Our model is tested by comparing the calculated heat liquid capacity with experimental data for four noble liquids at various pressures and temperatures, and good agreement is found. Finally, based on our findings, we propose analytical expressions for the Frenkel line and viscosity as a function of pressure and temperature, and discuss the key details and implications of our approach.

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Publication Details

Journal
Physical Chemistry Chemical Physics
Published
2025-12-17
DOI
https://doi.org/10.1039/d5cp04026d
Primary Topic
Material Dynamics and Properties
Type
article
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article

A study of Frenkel frequency and heat capacity as a function of pressure and temperature using a new approach to the phonon theory of liquids

Б. А. Мамедов, M. Y. Esmer
Physical Chemistry Chemical Physics
Material Dynamics and Properties
article

A study of Frenkel frequency and heat capacity as a function of pressure and temperature using a new approach to the phonon theory of liquids

Б. А. Мамедов, M. Y. Esmer
article en

Abstract

Based on the Maxwell relationship and experimental viscosity data, the phonon theory of liquids can provide a temperature-dependent description of liquid heat capacity that is consistent with experimental data. However, since liquid heat capacity also varies with pressure, we present an alternative approach that can be used to calculate the Frenkel frequency in terms of temperature and pressure by applying the concept of chemical potential under the assumption of a diffusive equilibrium. Using this derived Frenkel frequency, we formulate an analytical expression for the liquid heat capacity in terms of both temperature and pressure, without the need for viscosity data, which is consistent with predictions from the phonon theory of liquids. Our model is tested by comparing the calculated heat liquid capacity with experimental data for four noble liquids at various pressures and temperatures, and good agreement is found. Finally, based on our findings, we propose analytical expressions for the Frenkel line and viscosity as a function of pressure and temperature, and discuss the key details and implications of our approach.

Physical Chemistry Chemical PhysicsVol. 28(2)
Tokat Gaziosmanpaşa Üniversitesi (TR)
Openalex Percentile: Top 66%
Material Dynamics and Properties
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