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 …
of atoms around their temporary equilibrium positions dominate the dynamical picture. The …
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 …
have been investigated in this work. To do so, the tests have been performed on two model …
The phonon theory of liquids and biological fluids: Developments and applications
D Bolmatov - The Journal of Physical Chemistry Letters, 2022 - ACS Publications
Among the three basic states of matter (solid, liquid, and gas), the liquid state has always
eluded general theoretical approaches for describing liquid energy and heat capacity. In this …
eluded general theoretical approaches for describing liquid energy and heat capacity. In this …
Combining the entropy-scaling concept and cubic-or SAFT equations of state for modelling thermal conductivities of pure fluids
The transport properties of a fluid show a complex dependence with temperature and
pressure due to the combination of different phenomena occurring at the microscopic scale …
pressure due to the combination of different phenomena occurring at the microscopic scale …
Universal scaling of transverse sound speed and its isomorphic property in Yukawa fluids
Molecular dynamical simulations are performed to investigate the scaling of the transverse
sound speed in two-dimensional (2D) and 3D Yukawa fluids. From the calculated …
sound speed in two-dimensional (2D) and 3D Yukawa fluids. From the calculated …
Minima of shear viscosity and thermal conductivity coefficients of classical fluids
SA Khrapak, AG Khrapak - Physics of Fluids, 2022 - pubs.aip.org
The shear viscosity and thermal conductivity coefficients of various liquids exhibit minima
along certain trajectories on the phase diagram. These minima arise due to the crossover …
along certain trajectories on the phase diagram. These minima arise due to the crossover …
Linking viscosity to equations of state using residual entropy scaling theory
In our previous work (J Chem Eng Data 2021, 66 (3): 1385–1398), a residual entropy
scaling (RES) approach was developed to link viscosity to residual entropy [a …
scaling (RES) approach was developed to link viscosity to residual entropy [a …
Thermodynamics of supercritical carbon dioxide mixtures across the Widom line
Supercritical carbon dioxide (scCO2) mixtures are essential for many industrial applications.
However, the knowledge of their thermophysical properties in the extended critical region is …
However, the knowledge of their thermophysical properties in the extended critical region is …
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 …
the freezing temperature scaling, originates from the quasi-universal excess entropy scaling …
Gas–liquid crossover in the Lennard-Jones system
SA Khrapak - The Journal of Chemical Physics, 2022 - pubs.aip.org
It is demonstrated that the crossover between gas-and liquid-like regions on the phase
diagram of the Lennard-Jones system occurs at a fixed value of the density divided by its …
diagram of the Lennard-Jones system occurs at a fixed value of the density divided by its …