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Search Publications by: Allan H. Harvey (Fed)

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Displaying 1 - 25 of 143

Recommended Second Virial Coefficients for Nitrogen and Oxygen

October 15, 2026
Author(s)
Robert Hellmann, Giovanni Garberoglio, Allan Harvey
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

Improved Correlations for the Static Dielectric Constant of Hydrogen

October 7, 2026
Author(s)
Guinevere Sellner, Liam Tenardi, Paul Stanwix, Eric May, Allan Harvey
Accurate values of the static dielectric constant of hydrogen are important for both fundamental thermophysical property calculations and emerging dielectric-based sensing applications in hydrogen liquefaction, storage, and processing systems. Previous

Alternative Fundamental Equation of State for Fluid Carbon Dioxide

February 2, 2026
Author(s)
Eric Lemmon, Allan Harvey, Robert Hellmann
We present a new fundamental equation of state for fluid carbon dioxide, which is an alternative to the current reference formulation published by Span and Wagner in 1996. The equation of state is formulated as the Helmholtz energy as a function of

Ionization Constant of Water

June 10, 2025
Author(s)
Hugues Arcis, Allan Harvey
This is an update of two tables in the CRC Handbook of Chemistry and Physics (for the 106th ed.) to reflect a new standard formulation adopted in 2024 by the International Association for the Properties of Water and Steam (IAPWS).

Partition Functions and Ideal-Gas Thermodynamics for Carbon Dioxide

June 10, 2025
Author(s)
Sergey Tashkun, Allan Harvey
We have constructed an effective Hamiltonian model for the rotational-vibrational states of molecular carbon dioxide. The model is constrained by a large amount of spectroscopic data for frequencies of rovibrational transitions. From this formulation, we

Path-integral calculation of the third dielectric virial coefficient of helium based on ab initio three-body polarizability and dipole surfaces

October 10, 2024
Author(s)
Giovanni Garberoglio, Allan H. Harvey, Jakub Lang, Michal Przybytek, Michal Lesiuk, Bogumil Jeziorski
We develop a surface for the electric dipole moment of three interacting helium atoms and use it, together with state-of-the-art potential and polarizability surfaces, to compute the third dielectric virial coefficient, Cε, for both 4He and 3He isotopes

Index of Refraction of Liquid Water

May 1, 2024
Author(s)
Allan H. Harvey
This is an item for the CRC Handbook of Chemistry and Physics (105th ed.), giving values calculated from the IAPWS formulation for the refractive index.

Comprehensive Quantum Calculation of the First Dielectric Virial Coefficient of Water

January 12, 2024
Author(s)
Giovanni Garberoglio, Chiara Lissoni, Luca Spagnoli, Allan H. Harvey
We present a complete calculation, fully accounting for quantum effects and for molecular flexibility, of the first dielectric virial coefficient of water and its isotopologues. The contribution of the electronic polarizability is computed from a state-of

Small Corrections to 1989 NIST Constant-Volume Gas Thermometry Data

November 17, 2023
Author(s)
Allan H. Harvey
Constant-volume gas thermometry data published in 1989 for the difference between the thermodynamic temperature and the International Practical Temperature Scale of 1968 are corrected in two ways. A refined estimate of the thermal expansivity of the

Ab initio Calculation of Fluid Properties for Precision Metrology

September 12, 2023
Author(s)
Giovanni Garberoglio, Christof Gaiser, Roberto Maria Gavioso, Allan H. Harvey, Robert Hellmann, Bogumil Jeziorski, Karsten Meier, Michael R. Moldover, Laurent Pitre, Krzysztof Szalewicz, Robin Underwood
Recent advances regarding the interplay between ab initio calculations and metrology are reviewed, with particular emphasis on gas-based techniques used for temperature and pressure measurements. Since roughly 2010, several thermophysical quantities – in

An Equation of State for the Thermodynamic Properties of Helium

August 10, 2023
Author(s)
Diego Ortiz Vega, Kenneth Hall, James Holste, Allan H. Harvey, Eric W. Lemmon
This report documents the equation of state for fluid helium implemented in Version 10 of NIST's REFPROP Standard Reference Database. The equation of state is expressed as the molar Helmholtz energy as a function of temperature and density, and is valid

Entropy Scaling of Viscosity for Molecular Models of Molten Salts

January 9, 2023
Author(s)
Jeffrey Young, Ian Bell, Allan H. Harvey
Entropy scaling relates dynamic and thermodynamic properties by reducing the viscosity to be a function of only the residual entropy. Molecular simulations are used to investigate the entropy scaling of the viscosity of three models of sodium chloride and

New Reference Equation of State for Carbon Dioxide

May 6, 2022
Author(s)
Allan Harvey, Eric Lemmon
For carbon dioxide, the current reference for thermodynamic properties is the equation of state (EOS) of Span and Wagner published in 1996. While the Span-Wagner EOS provides accurate properties at most conditions of industrial interest, some deficiencies

Path-integral calculation of the third dielectric virial coefficient of noble gases

December 15, 2021
Author(s)
Giovanni Garberoglio, Allan H. Harvey, Bogumil Jeziorski
We present a rigorous framework for fully quantum calculation of the third dielectric virial coefficient C_eps(T) of noble gases, including exchange effects. The quantum efects are taken into account with the path-integral Monte Carlo method. Calculations
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