Dataset: 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
Provided by National Institute of Standards and Technology
Updated 25 Apr 2021

On this page: Summary | Resources | Preview | Get the dataset | Explore related

Dataset summary

The dataset on this page is a cache of the dataset https://catalog.data.gov/dataset/calculated-diffusivities-for-water-isotopologues-in-carbon-dioxide-nitrogen-and-the-atmosp. It is a snapshot of the dataset as it appeared on 11 Jun 2021 16:08 GMT. The current dataset could have changed in the meantime. Attribution: Contains data retrieved from Data.gov.

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.

Dataset resources

"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" contains the following resources:

• text - SHA256 File for Readme file
• text - Readme file
• text - SHA256 File for DIffusivity of H2O
• other - DIffusivity of H2ODIffusivity of the H2O molecule in CO2, N2, and the Martian atmosphere
• text - SHA256 File for Diffusivity of HDO
• other - Diffusivity of HDODIffusivity of the HDO molecule in CO2, N2, and the Martian atmosphere
• text - SHA256 File for Diffusivity of H2-17O
• other - Diffusivity of H2-17ODiffusivity of the H2-17O molecule in CO2, N2, and the Martian atmosphere
• text - SHA256 File for Diffusivity of H2-18O
• other - Diffusivity of H2-18ODiffusivity of the H2-18O molecule in CO2, N2, and the Martian atmosphere
• text - SHA256 File for Diffusivity of CH4
• other - Diffusivity of CH4Diffusivity of the CH4 molecule in N2 (atmosphere of Titan)
• text - SHA256 File for Diffusivity of CH3D
• other - Diffusivity of CH3DDiffusivity of the CH3D molecule in N2 (atmosphere of Titan)
• text - SHA256 File for Diffusivity of 13-CH4
• other - Diffusivity of 13-CH4Diffusivity of the 13-CH4 molecule in N2 (atmosphere of Titan)
• other - DOI Access for 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

Preview

Previews are not currently available for this dataset.

Get the dataset
catalog.data.gov

Explore related datasets

Find other datasets by National Institute of Standards and Technology.

Search datasets:

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