Ab initiopair potential energy curve for the argon atom pair and thermophysical properties for the dilute argon gas. II. Thermophysical properties for low-density argon

2010/10/07 by Eckhard Vogel, Benjamin Jäger, Robert Hellmann +1 · 2 citations
Physics and Astronomy · Engineering · Earth and Planetary Sciences · #Advanced Chemical Physics Studies #Phase Equilibria and Thermodynamics #High-pressure geophysics and materials

paper · doi:10.1080/00268976.2010.507557

openalex publication_date 2010/10/07 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/30

Abstract

A recent argon–argon interatomic potential energy curve determined from quantum-mechanical ab initio calculations and described with an analytical representation [B. Jäger, R. Hellmann, E. Bich, and E. Vogel, Mol. Phys. 107, 2181 (2009); 108, 105 (2010)] was used to calculate the most important thermophysical properties of argon governed by two-body interactions. Second pressure, acoustic, and dielectric virial coefficients as well as viscosity and thermal conductivity in the limit of zero density were computed for natural argon from 83 to 10,000 K. The calculated values for the different thermophysical properties are compared with available experimental data and values computed for other argon–argon potentials. This extensive analysis shows that the proposed potential is superior to all previous ones and that the calculated thermophysical property values are accurate enough to be applied as standard values for the complete temperature range of the calculations.

Citations

• A New Equation of State for Argon Covering the Fluid Region for Temperatures From the Melting Line to 700 K at Pressures up to 1000 MPa
• The spectrum and ground state potential curve of Ar2
• Accurateab initiopotential for argon dimer including highly repulsive region
• Ab initio potential energy curve for the neon atom pair and thermophysical properties of the dilute neon gas. I. Neon–neon interatomic potential and rovibrational spectra
• The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors

Cited by

• Measurements of the viscosity of carbon dioxide at temperatures from (253.15 to 473.15) K with pressures up to 1.2 MPa
• Diargon [wikipedia]