Calculated Diffusivities for Water Isotopologues in Carbon Dioxide, Nitrogen, and the Atmosphere of Mars, and for Methane Isotopologues in Nitrogen Representing the Atmosphere of Titan

Description

Values are computed for the dilute-gas diffusivity of water isotopologues in N2, CO2, and their mixture at a composition representing the atmosphere of Mars, for standard conditions of 101.325 kPa and water mole fraction approaching zero. Values are similarly computed for the diffusivity of methane isotopologues in N2, representing the atmosphere of Titan. Calculations employ state-of-the-art intermolecular potentials and classical trajectory calculations as described in the paper by R. Hellmann and A.H. Harvey, "First-Principles Diffusivity Ratios for Atmospheric Isotope Fractionation on Mars and Titan", published in Journal of Geophysical Research: Planets, 126, e2021JE006857 (2021), https://doi.org/10.1029/2021JE006857. Separate files are given for the diffusivities of H2O, HDO (where D is deuterium), and the 17-O and 18-O substitutions of H2O, and for the diffusivities in N2 of CH4, CH3D, and the 13-C substitution of CH4.

Resources

Name Format Description Link
47 https://data.nist.gov/od/ds/mds2-2351/Readme.txt.sha256
47 Readme file https://data.nist.gov/od/ds/mds2-2351/Readme.txt
47 https://data.nist.gov/od/ds/mds2-2351/Diffusivity_HDO.dat.sha256
47 https://data.nist.gov/od/ds/mds2-2351/Diffusivity_H2-17O.dat.sha256
5 Diffusivity of the H2-17O molecule in CO2, N2, and the Martian atmosphere https://data.nist.gov/od/ds/mds2-2351/Diffusivity_H2-17O.dat
47 https://data.nist.gov/od/ds/mds2-2351/Diffusivity_H2-18O.dat.sha256
5 Diffusivity of the H2-18O molecule in CO2, N2, and the Martian atmosphere https://data.nist.gov/od/ds/mds2-2351/Diffusivity_H2-18O.dat
47 https://data.nist.gov/od/ds/mds2-2351/Diffusivity_CH3D.dat.sha256
5 Diffusivity of the CH3D molecule in N2 (atmosphere of Titan) https://data.nist.gov/od/ds/mds2-2351/Diffusivity_CH3D.dat
47 https://data.nist.gov/od/ds/mds2-2351/Diffusivity_13CH4.dat.sha256
47 https://data.nist.gov/od/ds/mds2-2351/Diffusivity_CH4.dat.sha256
5 Diffusivity of the 13-CH4 molecule in N2 (atmosphere of Titan) https://data.nist.gov/od/ds/mds2-2351/Diffusivity_13CH4.dat
0 https://doi.org/10.18434/mds2-2351
47 https://data.nist.gov/od/ds/mds2-2351/Diffusivity_H2O.dat.sha256
5 DIffusivity of the H2O molecule in CO2, N2, and the Martian atmosphere https://data.nist.gov/od/ds/mds2-2351/Diffusivity_H2O.dat
5 Diffusivity of the CH4 molecule in N2 (atmosphere of Titan) https://data.nist.gov/od/ds/mds2-2351/Diffusivity_CH4.dat
5 DIffusivity of the HDO molecule in CO2, N2, and the Martian atmosphere https://data.nist.gov/od/ds/mds2-2351/Diffusivity_HDO.dat

Tags

  • diffusivity
  • isotopes
  • atmospheric-science
  • carbon-dioxide
  • nitrogen
  • water
  • methane
  • titan
  • mars

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