Analytical Calculation of Thermodynamic Properties for Nonpolar Gases Using Formulaes Including Second Order Derivative of Virial Coefficients

The evaluation of second order derivative thermodynamic properties of nonpolar gases is carried out by constructing the analytical formulae of the second virial coefficient (SVC) with Morse potential and its first and second derivatives for the first time in the literature without any parameter restrictions. The acquired analytical formulae are used for obtaining the $$\Delta {{C}_{{v}}}{\text{/}}P$$ and $$\Delta {{C}_{p}}{\text{/}}P$$ values at the temperature range of 500–5000 K and 1 atm pressure for the gases of He, Ne, Ar, Kr, Xe, H2, N2, O2. Additionally, the speed of sound calculations are carried out for He and Xe gases for various temperature and pressure values. The Joule–Thomson coefficient (μ) and constant pressure heat capacities of a refrigerant gas of Ar are also obtained for six different temperature values for a temperature range of 193.15–383.15 K at 40 atm pressure. The $$\Delta {{C}_{{v}}}{\text{/}}P$$ and $$\Delta {{C}_{p}}{\text{/}}P$$ values of H2, N2 and O2 indicated good consistency with analytical literature data using Lennard-Jones (12-6) potential. The speed of sound calculations demonstrated that the analytical approach utilizing the Morse potential provides closer results to experimental data compared to the Lennard-Jones (12-6) potential, particularly for heavier atom Xe at all pressure and temperature values, especially in the lower pressure region, and lighter atom He at only calculated higher pressure values greater than 10 atm. The calculations of the Joule–Thomson coefficient for Ar displayed good consistency with experimental data.

Authors

Institutions

Publication Details

Journal
Russian Journal of Physical Chemistry A
Published
2025-10-28
DOI
https://doi.org/10.1134/s0036024425702115
Primary Topic
Phase Equilibria and Thermodynamics
Type
article
Field-Weighted Citation Impact
0.00
Controls
|||
ALL TIME
JAN
FEB
MAR
APR
MAY
JUN
JUL
AUG
SEP
OCT
article

Analytical Calculation of Thermodynamic Properties for Nonpolar Gases Using Formulaes Including Second Order Derivative of Virial Coefficients

Aslihan Hatun Cacan
Russian Journal of Physical Chemistry A
Phase Equilibria and Thermodynamics
article

Analytical Calculation of Thermodynamic Properties for Nonpolar Gases Using Formulaes Including Second Order Derivative of Virial Coefficients

Aslihan Hatun Cacan
article en

Abstract

The evaluation of second order derivative thermodynamic properties of nonpolar gases is carried out by constructing the analytical formulae of the second virial coefficient (SVC) with Morse potential and its first and second derivatives for the first time in the literature without any parameter restrictions. The acquired analytical formulae are used for obtaining the $$\Delta {{C}_{{v}}}{\text{/}}P$$ and $$\Delta {{C}_{p}}{\text{/}}P$$ values at the temperature range of 500–5000 K and 1 atm pressure for the gases of He, Ne, Ar, Kr, Xe, H2, N2, O2. Additionally, the speed of sound calculations are carried out for He and Xe gases for various temperature and pressure values. The Joule–Thomson coefficient (μ) and constant pressure heat capacities of a refrigerant gas of Ar are also obtained for six different temperature values for a temperature range of 193.15–383.15 K at 40 atm pressure. The $$\Delta {{C}_{{v}}}{\text{/}}P$$ and $$\Delta {{C}_{p}}{\text{/}}P$$ values of H2, N2 and O2 indicated good consistency with analytical literature data using Lennard-Jones (12-6) potential. The speed of sound calculations demonstrated that the analytical approach utilizing the Morse potential provides closer results to experimental data compared to the Lennard-Jones (12-6) potential, particularly for heavier atom Xe at all pressure and temperature values, especially in the lower pressure region, and lighter atom He at only calculated higher pressure values greater than 10 atm. The calculations of the Joule–Thomson coefficient for Ar displayed good consistency with experimental data.

Russian Journal of Physical Chemistry AVol. 99(11)
Tokat Gaziosmanpaşa Üniversitesi (TR)
Openalex Percentile: Top 70%
Phase Equilibria and Thermodynamics
AI Navigator

Ask Laika to Summarize, Analyze, and Connect papers live on the map.

Summarize Papers & Methodologies

Extract key findings, datasets, and comparative methods across publications.

Benchmark Rankings & Visual Analytics

Rank top research institutions, authors, funders, topics, and journals by Field-Weighted Citation Impact (FWCI) and paper volume with instant charts.

Connect Distant Disciplines

Bridge topological clusters on the map to find hidden collaborative intersections.

Analytical Calculation of Thermodynamic Properties for Nonpolar Gases Using Formulaes Including Second Order Derivative of Virial Coefficients — Aslihan Hatun Cacan · Russian Journal of Physical Chemistry A (2025) | TGRS Research Map | TGRS