Physical Chemistry Research

Assessment of Several Equations of State for the Calculation of Thermodynamic Coefficients of Solids

Document Type : Regular Article

Authors

Abhay Prakash Srivastava 1
Brijesh Kumar Pandey 1
Anod Kumar Singh 2
Reetesh Srivastava 3
Harish Chandra Srivastava 4

1 Department of Physics & Material Science, Madan Mohan Malviya University of Technology, Gorakhpur (UP), India

2 Department of Physics, School of Basic Sciences, Lucknow, (UP), India

3 Department of Physics, Nandini Nagar P.G. College, Nawabganj, Gonda, (UP), India

4 Munna Lal Inter College, Wazirganj, budaun, (UP), India

https://doi.org/10.22036/pcr.2025.524577.2685
Abstract
This comprehensive study examines five equations of state (EoSs) – Vinet, Kholiya, Murnaghan, Birch-Murnaghan, and the newly derived Srivastava-Pandey EoS. Bulk modulus and thermal expansion coefficient expressions were derived, and compression versus pressure and thermal expansion curves were plotted. The results, analysed across four materials, provide a thorough understanding of the subject. Pressure and bulk modulus increased with compression, while thermal expansion decreased for MgO. Srivastava-Pandey and Vinet EoS emerged as the most accurate, matching experimental data, with other EoS deviating at high compression. NaF exhibited similar trends, with Vinet, Srivastava-Pandey, and Birch-Murnaghan closely aligning with experimental results, though Birch-Murnaghan showed deviations at high compression. In Xe, Kholiya, and Birch-Murnaghan EoS were better suited, producing thermal expansion results that followed the experimental pattern. The Srivastava-Pandey EoS produced the most accurate results for Cu, while the Murnaghan model showed significant deviations in thermal expansion. The Shanker-Kumar criterion validates the thermal expansion coefficient, providing a robust foundation for further research and practical applications.

Graphical Abstract

Assessment of Several Equations of State for the Calculation of Thermodynamic Coefficients of Solids

Keywords

Equation of state
Thermal expansion coefficient
Compression
Bulk modulus

Subjects

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Physical Chemistry Research
Volume 13, Issue 4
Autumn 2025
Pages 669-676

  • Receive Date 18 May 2025
  • Revise Date 27 July 2025
  • Accept Date 02 August 2025