Thermodynamic Data from Unpublished Sources to Support the New Reference Equation of State for Carbon Dioxide

Description

During work on the new reference equation of state for carbon dioxide [A.H. Harvey, S.A. Tashkun, R. Hellmann, and E.W. Lemmon, J. Phys. Chem. Ref. Data, in preparation], we obtained unpublished data from several sources.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.

Resources

Name Format Description Link
0 Melting-curve data for CO2 at high pressures shown in Fig. 2 of E.H. Abramson, "Three-Phase Melting Curves in the Binary System of Carbon Dioxide and Water," J. Phys.: Conf. Ser. 950, 042019 (2017) https://data.nist.gov/od/ds/mds2-2721/Abramson_melting-2017.csv
0 Unpublished data of Abramson (2004) for melting curve of CO2 at high pressures. https://data.nist.gov/od/ds/mds2-2721/Abramson_melting-2004.csv
0 Points for CO2 vapor pressure reported graphically in Figure 4 of 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://data.nist.gov/od/ds/mds2-2721/KartalDogan_VP.csv
0 More detailed information corresponding to 2-phase Cv data for CO2 reported in Table 2 of 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://data.nist.gov/od/ds/mds2-2721/Magee_Cv2.csv
0 High-pressure density data from XRD shown graphically (Fig. 3d) in F. Datchi et al., "Structure of liquid carbon dioxide at pressures up to 10 GPa," Phys. Rev. B 94, 014201 (2016). https://data.nist.gov/od/ds/mds2-2721/Datchi_density.csv
47 README file describing the 11 uploaded data files. https://data.nist.gov/od/ds/mds2-2721/README.txt
0 Extension of the fourth virial coefficient calculations presented in R. Hellmann, J. Chem. Phys. 146, 054302 (2017) to temperatures below 230 K. https://data.nist.gov/od/ds/mds2-2721/Hellmann_B4_extended.csv
0 Extension of the third virial coefficient calculations presented in R. Hellmann, J. Chem. Phys. 146, 054302 (2017) to temperatures below 190 K. https://data.nist.gov/od/ds/mds2-2721/Hellmann_B3_extended.csv
0 Extension of the second virial coefficient calculations presented in R. Hellmann, Chem. Phys. Lett. 613, 133-138 (2014) to temperatures below 150 K.Furthermore, new values for the second virial coefficient have been calculated for 41 temperatures from 1000 K to 3000 K on a Chebyshev grid. https://data.nist.gov/od/ds/mds2-2721/Hellmann_B2_extended.csv
0 Data for Cv near critical point of CO2 corresponding to 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).Note information in file about temperature scales https://data.nist.gov/od/ds/mds2-2721/Albright_Cv.csv
0 Speeds from Brillouin scattering from 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).See file for relationship to thermodynamic sound speed. https://data.nist.gov/od/ds/mds2-2721/Giordano_Brillouin.csv
0 Data for CO2 melting curve shown graphically (Fig. 2) in 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://data.nist.gov/od/ds/mds2-2721/Giordano_melting.csv

Tags

  • melting
  • equation-of-state
  • virial-coefficients
  • sound-speed
  • carbon-dioxide
  • co2
  • heat-capacity
  • thermodynamics
  • vapor-pressure

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