Bell, I.
, Messerly, R.
, Thol, M.
, Costigliola, L.
and Dyre, J.
(2019),
Modified Entropy Scaling of the Transport Properties of the Lennard-Jones Fluid, Journal of Physical Chemistry B, [online], https://tsapps.nist.gov/publication/get_pdf.cfm?pub_id=927539
(Accessed December 14, 2024)
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Modified Entropy Scaling of the Transport Properties of the Lennard-Jones Fluid
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Author(s)
, , Monika Thol, Lorenzo Costigliola, Jeppe Dyre
Abstract
Separated by twenty-two years, Rosenfeld proposed two different scaling approaches to model the transport properties of fluids, one valid in the dilute gas, and another in the liquid phase. In this work, we demonstrate that these two limiting cases can be connected through the use of a novel approach to scaling transport properties and an empirical bridging function. This approach, which is empirical and not derived from theory, is used to generate reference correlations for the transport properties of the Lennard-Jones 12-6 potentials of viscosity, thermal conductivity, and self-diffusion. Special treatment of the critical enhancement of thermal conductivity is required. This approach, with a very simple functional form, allows for the reproduction of the most accurate simulation data to within nearly their statistical uncertainty. Insight gained from the Lennard-Jones system can be directly applied to the development of engineering correlations for the transport properties of real fluids.Citation
Journal of Physical Chemistry B
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Created June 26, 2019, Updated January 7, 2020