Abstract
Rosenfeld proposed two different scaling approaches to model the transport properties of fluids, separated by 22 years, 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 a 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 fluid of viscosity, thermal conductivity, and self-diffusion. This approach, with a very simple functional form, allows for the reproduction of the most accurate simulation data to within nearly their statistical uncertainty. The correlations are used to confirm that for the Lennard-Jones fluid the appropriately scaled transport properties are nearly monovariate functions of the excess entropy from low-density gases into the supercooled phase and up to extreme temperatures. This study represents the most comprehensive metastudy of the transport properties of the Lennard-Jones fluid to date.
| Original language | English |
|---|---|
| Pages (from-to) | 6345-6363 |
| Number of pages | 19 |
| Journal | Journal of Physical Chemistry B |
| Volume | 123 |
| Issue number | 29 |
| DOIs | |
| State | Published - Jun 26 2019 |
| Externally published | Yes |
Funding
The authors thank Ulrich Deiters (of the University of Cologne) for performing additional Monte Carlo simulations on the CHEOPS supercomputer of the University of Cologne, Martin Lautenschlaeger (of the University of Kaiserslautern) for helpful discussions and carrying out the literature survey that formed the basis of the literature survey used in this study, and Arno Laesecke (formerly of NIST) for highlighting the importance of the Lennard-Jones fluid and initial data collection. This work was supported by the VILLUM Foundation’s Matter grant (16515). The authors thank Ulrich Deiters (of the University of Cologne) for performing additional Monte Carlo simulations on the CHEOPS supercomputer of the University of Cologne, Martin Lautenschlaeger (of the University of Kaiserslautern) for helpful discussions and carrying out the literature survey that formed the basis of the literature survey used in this study, and Arno Laesecke (formerly of NIST) for highlighting the importance of the Lennard-Jones fluid and initial data collection. This work was supported by the VILLUM Foundation's Matter grant (16515).
| Funders | Funder number |
|---|---|
| Villum Fonden | 16515 |
| Technische Universität Kaiserslautern | NIST |
| Universität zu Köln |