Calculated Diffusivities for Water Isotopologues in Nitrogen, Oxygen, and Air
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https://data.nist.gov/od/id/mds2-2271
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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", submitted to Geophysical Research Letters in July 2020. Separate files are given for the diffusivities of H2O, HDO (where D is deuterium), and the 17-O and 18-O substitutions of H2O.
提供机构：
National Institute of Standards and Technology
创建时间：
2020-07-26
