Water: A tale of two liquids

P Gallo, K Amann-Winkel, CA Angell… - Chemical …, 2016 - ACS Publications
Water is the most abundant liquid on earth and also the substance with the largest number
of anomalies in its properties. It is a prerequisite for life and as such a most important subject …

Self-diffusion coefficient of bulk and confined water: a critical review of classical molecular simulation studies

IN Tsimpanogiannis, OA Moultos, LFM Franco… - Molecular …, 2019 - Taylor & Francis
We present a detailed overview of classical molecular simulation studies examining the self-
diffusion coefficient of water. The self-diffusion coefficient is directly associated with the …

[HTML][HTML] 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 …

Hidden scale invariance in condensed matter

JC Dyre - The Journal of Physical Chemistry B, 2014 - ACS Publications
Recent developments show that many liquids and solids have an approximate “hidden”
scale invariance that implies the existence of lines in the thermodynamic phase diagram, so …

Simple liquids' quasiuniversality and the hard-sphere paradigm

JC Dyre - Journal of Physics: Condensed Matter, 2016 - iopscience.iop.org
This topical review discusses the quasiuniversality of simple liquids' structure and dynamics
and two possible justifications of it. The traditional one is based on the van der Waals picture …

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 …

String model for the dynamics of glass-forming liquids

BA Pazmiño Betancourt, JF Douglas… - The Journal of chemical …, 2014 - pubs.aip.org
We test the applicability of a living polymerization theory to describe cooperative string-like
particle rearrangement clusters (strings) observed in simulations of a coarse-grained …

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 …

Waterlike hierarchy of anomalies in a continuous spherical shouldered potential

AB de Oliveira, G Franzese, PA Netz… - The Journal of Chemical …, 2008 - pubs.aip.org
We investigate by molecular dynamics simulations a continuous isotropic core-softened
potential with attractive well in three dimensions, introduced by Franzese [J. Mol. Liq. 136 …