An official website of the United States government
Here’s how you know
Official websites use .gov
A .gov website belongs to an official government organization in the United States.
Secure .gov websites use HTTPS
A lock (
) or https:// means you’ve safely connected to the .gov website. Share sensitive information only on official, secure websites.
Application of First-Principles Calculations to the Correlation of Water's Second Virial Coefficient
Published
Author(s)
Allan H. Harvey
Abstract
An estimate is made of water's second virial coefficient by integrating an accurate pair potential. The calculated values are correlated as a function of temperature, and the resulting correlation is compared to experimental data for the second virial coefficient and to data for its temperature derivative as derived from flow calorimetry. While the data are matched well at high temperatures, at lower temperatures the predicted second viral coefficients are significantly less negative than those from existing correlations and than the most reliable experimental values. It is suggested that his is due to a combination of the neglect of higher-order quantum corrections and the imperfection of the pair potential used.
Proceedings Title
International Conference on the Properties of Water and Steam; Steam, Water and Hydrothermal Systems Physics and Chemistry Meeting the Needs of Industry | 13th | | NRC Research Press
Conference Dates
September 12-19, 1999
Conference Location
Toronto, CA
Conference Title
International Conference on the Properties of Water and Steam
Pub Type
Conferences
Keywords
intermolecular potential, steam, thermodynamic properties, virial coefficients, water
Citation
Harvey, A.
(2000),
Application of First-Principles Calculations to the Correlation of Water's Second Virial Coefficient, International Conference on the Properties of Water and Steam; Steam, Water and Hydrothermal Systems Physics and Chemistry Meeting the Needs of Industry | 13th | | NRC Research Press, Toronto, CA
(Accessed February 13, 2025)