Predicting thermodiffusion in simple binary fluid mixtures

H Hoang, G Galliero - The European Physical Journal E, 2022 - Springer
The predictive capabilities of some existing theoretical models to quantify thermodiffusion
have been investigated in this work. To do so, the tests have been performed on two model …

Perspective: Excess-entropy scaling

JC Dyre - The Journal of chemical physics, 2018 - pubs.aip.org
This article gives an overview of excess-entropy scaling, the 1977 discovery by Rosenfeld
that entropy determines properties of liquids like viscosity, diffusion constant, and heat …

Modified entropy scaling of the transport properties of the Lennard-Jones fluid

IH Bell, R Messerly, M Thol, L Costigliola… - The Journal of …, 2019 - ACS Publications
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 …

Group contribution method for viscosities based on entropy scaling using the perturbed-chain polar statistical associating fluid theory

O Lötgering-Lin, J Gross - Industrial & Engineering Chemistry …, 2015 - ACS Publications
In this work, we propose a new predictive entropy-scaling approach for Newtonian shear
viscosities based on group contributions. The approach is based on Rosenfeld's original …

Transport properties of binary Lennard-Jones mixtures: Insights from entropy scaling and conformal solution theory

D Fertig, H Hasse, S Stephan - Journal of Molecular Liquids, 2022 - Elsevier
The relation of transport properties and the molecular interactions in binary mixtures was
studied. The self-diffusion coefficient, Maxwell–Stefan as well as Fickian mutual diffusion …

Pure substance and mixture viscosities based on entropy scaling and an analytic equation of state

O Lötgering-Lin, M Fischer, M Hopp… - Industrial & Engineering …, 2018 - ACS Publications
This study proposes a simple model for viscosities, based on entropy scaling, for real
substances and mixtures. The residual entropy is calculated with the perturbed chain polar …

Influence of dispersive long-range interactions on transport and excess properties of simple mixtures

D Fertig, S Stephan - Molecular Physics, 2023 - Taylor & Francis
The influence of dispersive long-range interactions on liquid bulk phase transport and
excess properties of six binary Lennard–Jones (LJ) mixtures was studied by molecular …

Revisiting the entropy-scaling concept for shear-viscosity estimation from Cubic and SAFT equations of state: application to pure fluids in gas, liquid and supercritical …

A Dehlouz, R Privat, G Galliero… - Industrial & …, 2021 - ACS Publications
The entropy scaling concept postulates that reduced transport properties of fluids are related
to the residual entropy, a property that reveals intermolecular interactions and can be …

Thermal conductivity of real substances from excess entropy scaling using PCP-SAFT

M Hopp, J Gross - Industrial & Engineering Chemistry Research, 2017 - ACS Publications
Entropy scaling is an intriguingly simple approach for correlating and predicting transport
properties of real substances and mixtures. It is convincingly documented in the literature …

Dynamic crossover in fluids: From hard spheres to molecules

IH Bell, S Delage-Santacreu, H Hoang… - The Journal of …, 2021 - ACS Publications
We propose a simple and generic definition of a demarcation reconciling structural and
dynamic frameworks when combined with the entropy scaling framework. This crossover …