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.
Resources
| Name | Format | Description | Link |
|---|---|---|---|
| Diffusivity of H2-17O | Text | DIffusivity of the H2-17O molecule in nitrogen, oxygen, and air. | Open resource |
| SHA256 File for Diffusivity of H2-17O | Text | Open resource | |
| Diffusivity of H2-18O | Text | DIffusivity of the H2-18O molecule in nitrogen, oxygen, and air. | Open resource |
| SHA256 File for Diffusivity of H2-18O | Text | Open resource | |
| DIffusivity of H2O | Text | DIffusivity of the H2O molecule in nitrogen, oxygen, and air. | Open resource |
| SHA256 File for DIffusivity of H2O | Text | Open resource | |
| Diffusivity of HDO | Text | DIffusivity of the HDO molecule in nitrogen, oxygen, and air. | Open resource |
| SHA256 File for Diffusivity of HDO | Text | Open resource | |
| readme file | Text | Summary of dataset | Open resource |
| SHA256 File for readme file | Text | Open resource | |
| DOI Access for Calculated Diffusivities for Water Isopopologues in Nitrogen, Oxygen, and Air | Unknown | Open resource |