Work

Recommended Second Virial Coefficients for Nitrogen and Oxygen

Year: 2026

Type: article

Abstract: We provide recommended values for the second virial coefficient, B(T), and its uncertainty, for molecular nitrogen and oxygen. The temperature range covered is 20–3000 K for nitrogen and 20–2000 K for oxygen. The recommendations are based on tuning previously published state-of-the-art ab initio pair potentials so that the B(T) calculated from the potentials match selected high-accuracy experimental data; for nitrogen the tuning utilizes values of B derived from literature density data with greatly reduced uncertainty by analyzing the data with the aid of ab initio calculated higher virial coefficients. Quantum effects on B are fully included with the path-integral Monte Carlo method. The resulting B(T) have uncertainties similar to those of the best experimental data, but cover a much wider temperature range.

Source: Journal of Physical and Chemical Reference Data

DOI: 10.1063/5.0354088

Authors: Robert Hellmann, Giovanni Garberoglio, Allan H. Harvey

Institutions: Helmut Schmidt University, European Centre for Theoretical Studies in Nuclear Physics and Related Areas, National Institute of Standards and Technology

Language: English

Topic: Phase Equilibria and Thermodynamics

Subfield: Biomedical Engineering

Field: Engineering

Domain: Physical Sciences

Open Access status: hybrid