Data provided by National Institute of Standards and Technology
Values are computed for the dilute-gas diffusivity of water isotopologues in N2, O2, and their mixture at a composition representing air, for standard conditions of 101.325 kPa and water mole fraction approaching zero. 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 Kinetic Isotope Fractionation of Water in Air", published in Geophysical Research Letters volume 47, issue 18, article e2020GL089999 (2020), https://doi.org/10.1029/2020GL089999. Separate files are given for the diffusivities of H2O, HDO (where D is deuterium), and the 17-O and 18-O substitutions of H2O.
About this Dataset
Updated: 2026-08-20
Metadata Last Updated:
2020-07-24 00:00:00
Date Created:
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Data Provided by:
Dataset Owner:
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| Title | Calculated Diffusivities for Water Isotopologues in Nitrogen, Oxygen, and Air |
|---|---|
| Description | Values are computed for the dilute-gas diffusivity of water isotopologues in N2, O2, and their mixture at a composition representing air, for standard conditions of 101.325 kPa and water mole fraction approaching zero. 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 Kinetic Isotope Fractionation of Water in Air", published in Geophysical Research Letters volume 47, issue 18, article e2020GL089999 (2020), https://doi.org/10.1029/2020GL089999. Separate files are given for the diffusivities of H2O, HDO (where D is deuterium), and the 17-O and 18-O substitutions of H2O. |
| Modified | 2020-07-24 00:00:00 |
| Publisher Name | National Institute of Standards and Technology |
| Contact | mailto:[email protected] |
| Keywords | air , diffusion , first-principles calculations , isotopic fractionation , kinetic fractionation , kinetic theory , nitrogen , oxygen , water |
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"title": "Calculated Diffusivities for Water Isotopologues in Nitrogen, Oxygen, and Air",
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