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    • Phase-shift Data for Fully Quantum Calculations of Thermophysical Properties for Noble Gases

    Metadata Updated: July 9, 2025

    This data deposit contains JSON files of phase-shift data and related quantities for pair interactions using state-of-the-art pair potentials for helium (isotopes of mass 3 and 4 and their cross interaction), neon (all six interactions among isotopes with masses 20, 21, and 22), and argon (the dominant isotope of mass 40). A Python program is supplied to compute the second virial coefficient B(T), its first two temperature derivatives, and the second acoustic virial coefficient for any of these pair interactions at temperatures up to 1500 K. The lower temperature limit is 0.01 K for helium, 1 K for neon, and 10 K for argon. Another program is supplied to calculate these quantities for neon of natural isotopic composition.This work is described in a paper: G. Garberoglio and A.H. Harvey, "Avoiding Interpolation Errors for Computed Second Virial Coefficients of Noble Gases", Metrologia, in preparation (2025).The code and data files are also maintained at this Github site:https://github.com/gioGarbe/TAPPS

    Access & Use Information

    Public: This dataset is intended for public access and use. License: See this page for license information.

    Downloads & Resources

    Dates

    Metadata Created Date July 9, 2025
    Metadata Updated Date July 9, 2025

    Metadata Source

    Harvested from NIST

    Other Data Resources

    Additional Metadata

    Resource Type Dataset
    Metadata Created Date July 9, 2025
    Metadata Updated Date July 9, 2025
    Publisher National Institute of Standards and Technology
    Maintainer
    Identifier ark:/88434/mds2-3802
    Data First Published 2025-06-11
    Language en
    Data Last Modified 2025-04-16 00:00:00
    Category Physics:Thermodynamics, Physics:Atomic, molecular, and quantum, Chemistry:Theoretical chemistry and modeling
    Public Access Level public
    Bureau Code 006:55
    Metadata Context https://project-open-data.cio.gov/v1.1/schema/data.json
    Schema Version https://project-open-data.cio.gov/v1.1/schema
    Catalog Describedby https://project-open-data.cio.gov/v1.1/schema/catalog.json
    Harvest Object Id 15184773-15e9-447c-bdb4-bb3360dc49fc
    Harvest Source Id 74e175d9-66b3-4323-ac98-e2a90eeb93c0
    Harvest Source Title NIST
    License https://www.nist.gov/open/license
    Program Code 006:045
    Source Datajson Identifier True
    Source Hash 83262a7b1a365b8438601061032d2c718f753d0314551cc7a333fa0f9c3b2e32
    Source Schema Version 1.1

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