Thermophysical properties of the Lennard-Jones fluid: Database and data assessment

S Stephan, M Thol, J Vrabec… - Journal of chemical …, 2019 - ACS Publications
Literature data on the thermophysical properties of the Lennard-Jones fluid, which were
sampled with molecular dynamics and Monte Carlo simulations, were reviewed and …

Elementary vibrational model for transport properties of dense fluids

SA Khrapak - Physics Reports, 2024 - Elsevier
A vibrational model of transport properties of dense fluids assumes that solid-like oscillations
of atoms around their temporary equilibrium positions dominate the dynamical picture. The …

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 …

Review and comparison of equations of state for the Lennard-Jones fluid

S Stephan, J Staubach, H Hasse - Fluid Phase Equilibria, 2020 - Elsevier
Abstract The Lennard-Jones (LJ) potential is widely used for describing simple fluids; it is
also a point of departure for developing models of complex fluids. Thermodynamic …

Integral equation theory description of phase equilibria in classical fluids

C Caccamo - Physics reports, 1996 - Elsevier
We review the present status of applications of integral equation theories (IETs) for the radial
distribution function g (r), to the determination of phase diagrams and stability conditions of …

Excess entropy and Stokes-Einstein relation in simple fluids

SA Khrapak, AG Khrapak - Physical Review E, 2021 - APS
The Stokes-Einstein (SE) relation between the self-diffusion and shear viscosity coefficients
operates in sufficiently dense liquids not too far from the liquid-solid phase transition. By …

Prediction of the phase diagram of rigid molecules

A Cheng, ML Klein, C Caccamo - Physical review letters, 1993 - APS
An integral-equation approach combined with molecular dynamics simulations based on the
Girifalco spherical intermolecular potential has been used to predict the phase diagram for …

Role of the interaction range in the shaping of phase diagrams in simple fluids. The hard sphere Yukawa fluid as a case study

E Lomba, NG Almarza - The Journal of chemical physics, 1994 - pubs.aip.org
We have investigated the influence of the interaction range on the shape of the phase
diagram in a system of particles that interact via a hard-sphere potential plus an attractive …

Sound velocities in liquids near freezing: Dependence on the interaction potential and correlations with thermal conductivity

SA Khrapak, AG Khrapak - Physics of Fluids, 2023 - pubs.aip.org
We present systematic investigation of sound velocities in various fluids at the fluid–solid
phase transition. First, theoretical estimates indicating that quasi-universal values of sound …

Freezing temperature and density scaling of transport coefficients

SA Khrapak, AG Khrapak - The Journal of Physical Chemistry …, 2022 - ACS Publications
It is demonstrated that the freezing density scaling of transport coefficients in fluids, similar to
the freezing temperature scaling, originates from the quasi-universal excess entropy scaling …