Bell, I.
, Hellmann, R.
and Harvey, A.
(2019),
Modified Residual Entropy Scaling of Transport Properties in the Zero-Density Limit, Journal of Chemical and Engineering Data, [online], https://tsapps.nist.gov/publication/get_pdf.cfm?pub_id=927713
(Accessed June 5, 2023)
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Modified Residual Entropy Scaling of Transport Properties in the Zero-Density Limit
Published
Author(s)
, Robert Hellmann,
Abstract
In this work we investigate the nature of the modified residual entropy scaling of transport properties of model potentials and highly accurate results from calculations with {\abinitio} pair potentials for small molecules. These results demonstrate that the scaled transport properties of noble gases can be collapsed without any empirical parameters to nearly their mutual uncertainties and that the scaled transport properties of polyatomic molecules are qualitatively similar, and for sufficiently high temperatures they agree with "universal" values proposed by Rosenfeld in 1999.Citation
Journal of Chemical and Engineering Data
Pub Type
Journals
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Keywords
Residual entropy scaling, transport properties, zero-density limit
Citation
Created December 30, 2019, Updated January 2, 2020