NASA Polynomial representation of molecular specific heats Article Swipe
YOU?
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· 2023
· Open Access
·
· DOI: https://doi.org/10.1016/j.jqsrt.2023.108617
So called NASA polynomials are widely used in plasma and combustion models to represent the specific heat of molecules as a function of temperature. In this work, we compute seven-term NASA polynomials for 464 molecules of which 44 are cations and 9 are anions; polynomials are not currently available for almost 200 of these species. Calculation of the NASA polynomials utilises data provided by the ExoMol database, the HITRAN database, the diatomic partition functions computed by Barklem and Collet, and the JANAF thermodynamic tables. Our results are compared against existing polynomial compilations where available, and for cases where there are multiple datasets the recommended polynomials are identified. As proposed in the original compilation, the seven-term polynomials are fitted separately for the temperature ranges 200 – 1000 K and 1000 – 6000 K. In general, different data sources give good agreement in the lower temperature range but there are significant discrepancies at higher temperatures, which can be attributed to the underlying assumptions made about highly excited rotation-vibration energy levels.
Related Topics
- Type
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- Language
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- Landing Page
- https://doi.org/10.1016/j.jqsrt.2023.108617
- OA Status
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- OpenAlex ID
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https://doi.org/10.1016/j.jqsrt.2023.108617Digital Object Identifier
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NASA Polynomial representation of molecular specific heatsWork title
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articleOpenAlex work type
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enPrimary language
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2023Year of publication
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2023-04-27Full publication date if available
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Rong Wang, Ugne Balciunaite, Juncai Chen, Cheng Yuan, A. Owens, Jonathan TennysonList of authors in order
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https://doi.org/10.1016/j.jqsrt.2023.108617Publisher landing page
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hybridOpen access status per OpenAlex
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https://doi.org/10.1016/j.jqsrt.2023.108617Direct OA link when available
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HITRAN, Representation (politics), Polynomial, Mathematics, Physics, Mathematical analysis, Quantum mechanics, Law, Politics, Spectral line, Political scienceTop concepts (fields/topics) attached by OpenAlex
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21Total citation count in OpenAlex
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2025: 7, 2024: 12, 2023: 2Per-year citation counts (last 5 years)
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10Other works algorithmically related by OpenAlex
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