Erratum: Modified Entropy Scaling of the Transport Properties of the Lennard-Jones Fluid (The Journal of Physical Chemistry B (2019) 123:29 (6345-6363) DOI: 10.1021/acs.jpcb.9b05808)

Ian H. Bell; Richard Messerly; Monika Thol; Lorenzo Costigliola; Jeppe C. Dyre

doi:10.1021/acs.jpcb.2c04498

Erratum: Modified Entropy Scaling of the Transport Properties of the Lennard-Jones Fluid (The Journal of Physical Chemistry B (2019) 123:29 (6345-6363) DOI: 10.1021/acs.jpcb.9b05808)

Ian H. Bell, Richard Messerly, Monika Thol, Lorenzo Costigliola, Jeppe C. Dyre

Advanced Computing for Chemistry and Mat

Research output: Contribution to journal › Comment/debate

2 Scopus citations

Abstract

The authors regret that an error was made in the implementation at zero density in the Python code included with the paper. The exponent on the virial coefficient contribution had the wrong sign, it should have been -2/3 instead of 2/3. The error only impacts calculations at zero density; small but finite densities are not impacted. The updated script is included with this work, it should be renamed to (Formula Presented).

Original language	English
Pages (from-to)	5595-5596
Number of pages	2
Journal	Journal of Physical Chemistry B
Volume	126
Issue number	29
DOIs	https://doi.org/10.1021/acs.jpcb.2c04498
State	Published - Jul 28 2022

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10.1021/acs.jpcb.2c04498

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abstract = "The authors regret that an error was made in the implementation at zero density in the Python code included with the paper. The exponent on the virial coefficient contribution had the wrong sign, it should have been -2/3 instead of 2/3. The error only impacts calculations at zero density; small but finite densities are not impacted. The updated script is included with this work, it should be renamed to (Formula Presented).",

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Erratum: Modified Entropy Scaling of the Transport Properties of the Lennard-Jones Fluid (The Journal of Physical Chemistry B (2019) 123:29 (6345-6363) DOI: 10.1021/acs.jpcb.9b05808). / Bell, Ian H.; Messerly, Richard; Thol, Monika et al.
In: Journal of Physical Chemistry B, Vol. 126, No. 29, 28.07.2022, p. 5595-5596.

Research output: Contribution to journal › Comment/debate

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AU - Costigliola, Lorenzo

AU - Dyre, Jeppe C.

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Erratum: Modified Entropy Scaling of the Transport Properties of the Lennard-Jones Fluid (The Journal of Physical Chemistry B (2019) 123:29 (6345-6363) DOI: 10.1021/acs.jpcb.9b05808)

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