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    • Thermodynamic Data from Unpublished Sources to Support the New Reference Equation of State for Carbon Dioxide

    Metadata Updated: July 9, 2025

    During work on the new reference equation of state for carbon dioxide [E.W. Lemmon, A.H. Harvey, and R. Hellmann, NIST Internal Report, to be published in 2025], we obtained unpublished data from several sources. These represent numerical values for data only presented graphically in a publication, or in some cases data not present in the publication at all. With the permission of the authors, we document and deposit these data here so they will be available for future workers. These include data for the melting curve at high pressures, the isochoric heat capacity (including near the critical point and in the two-phase region), the sound speed and density at high pressures, and the vapor pressure of the liquid. It also includes values of the second, third, and fourth virial coefficients calculated by R. Hellmann from state-of-the-art pair and three-body potentials.For ease of electronic processing, the data elements are formatted as comma-separated values (.csv).More details about the file contents are in the README.txt file and in the headings of individual files.The literature papers connected with these data are as follows:-- E.H. Abramson, "Three-Phase Melting Curves in the Binary System of Carbon Dioxide and Water," J. Phys.: Conf. Ser. 950, 042019 (2017), https://doi.org/10.1088/1742-6596/950/4/042019-- P.C. Albright, T.J. Edwards, Z.Y. Chen, and J.V. Sengers, "A scaled fundamental equation for the thermodynamic properties of carbon dioxide in the critical region," J. Chem. Phys. 87, 1717 (1987), https://doi.org/10.1063/1.453238-- F. Datchi et al., "Structure of liquid carbon dioxide at pressures up to 10 GPa," Phys. Rev. B 94, 014201 (2016), https://doi.org/10.1103/PhysRevB.94.014201-- V.M. Giordano, F. Datchi, and A. Dewaele, "Melting curve and fluid equation of state of carbon dioxide at high pressure and high temperature," J. Chem. Phys. 125, 054504 (2006), https://doi.org/10.1063/1.2215609-- R. Hellmann, "Ab initio potential energy surface for the carbon dioxide molecule pair and thermophysical properties of dilute carbon dioxide gas," Chem. Phys. Lett. 613, 133-138 (2014), https://doi.org/10.1016/j.cplett.2014.08.057-- R. Hellmann, "Nonadditive three-body potential and third to eighth virial coefficients of carbon dioxide," J. Chem. Phys. 146, 054302 (2017), https://doi.org/10.1063/1.4974995-- A. Kartal Dogan, G. Bonnier, A. Uytun, I Kocas, and Y. Durgut, "Toward Carbon Dioxide Vapor-Pressure Thermometer," Int. J. Thermophys. 32, 2230 (2011), https://doi.org/10.1007/s10765-011-1091-y-- J.W. Magee and J.F. Ely, "Specific Heats (Cv) of Saturated and Compressed Liquid and Vapor Carbon Dioxide," Int. J. Thermophys. 7, 1163 (1986), https://doi.org/10.1007/BF00503973

    Access & Use Information

    Public: This dataset is intended for public access and use. License: See this page for license information.

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    Dates

    Metadata Created Date July 29, 2022
    Metadata Updated Date July 9, 2025

    Metadata Source

    Harvested from NIST

    Other Data Resources

    Additional Metadata

    Resource Type Dataset
    Metadata Created Date July 29, 2022
    Metadata Updated Date July 9, 2025
    Publisher National Institute of Standards and Technology
    Maintainer
    Identifier ark:/88434/mds2-2721
    Data First Published 2022-07-26
    Language en
    Data Last Modified 2022-07-25 00:00:00
    Category Physics:Thermodynamics, Chemistry:Chemical thermodynamics and chemical properties
    Public Access Level public
    Bureau Code 006:55
    Metadata Context https://project-open-data.cio.gov/v1.1/schema/data.json
    Schema Version https://project-open-data.cio.gov/v1.1/schema
    Catalog Describedby https://project-open-data.cio.gov/v1.1/schema/catalog.json
    Harvest Object Id 53dd7972-1914-4441-9a7f-c816985d2bf6
    Harvest Source Id 74e175d9-66b3-4323-ac98-e2a90eeb93c0
    Harvest Source Title NIST
    Homepage URL https://data.nist.gov/od/id/mds2-2721
    License https://www.nist.gov/open/license
    Program Code 006:045
    Source Datajson Identifier True
    Source Hash 96e18a4d53d325e1d724e599654280b9d83da89938cea5816485bed4cfd953d9
    Source Schema Version 1.1

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