Related papers: Transport properties of the square-well fluid from…
We present a systematic study of the self-diffusion coefficient for a fluid of particles interacting via the square-well pair potential by means of molecular dynamics simulations in the canonical (N,V,T) ensemble. The discrete nature of the…
Transport properties of liquid methanol and ethanol are predicted by molecular dynamics simulation. The molecular models for the alcohols are rigid, non-polarizable and of united-atom type. They were developed in preceding work using…
Equilibrium molecular dynamics simulation and the Green-Kubo formalism were used to calculate self-diffusion coefficient, shear viscosity,and thermal conductivity for 30 different quadrupolar two-center Lennard-Jones fluids along the bubble…
The aim of this work is to investigate to what extent the structural properties of a short-range square-well (SW) fluid of range $\lambda$ at a given packing fraction and reduced temperature can be represented by those of a…
Equilibrium molecular dynamics simulation and the Green-Kubo formalism were used to calculate self-diffusion coefficient, shear viscosity, and thermal conductivity for 38 different dipolar two-center Lennard-Jones fluids along the bubble…
The penetrable-square-well (PSW) pair interaction potential is defined as $\phi (r)=\epsilon_r$ if the two interacting particles are overlapped ($r<\sigma$), $\phi(r)=-\epsilon_a$ inside a corona ($\sigma <r<\lambda$), and $\phi(r)=0$…
The square-well fluid with hard-sphere diameters is studied within the framework of Thermodynamic Geometry (TG). Coexistence and spinodal curves, as well as the Widom line for ranges $\lambda^{*} = 1.25, 1.5, 2.0, 3.0$ for this fluid are…
Molecular dynamics computer simulation has been used to compute the self-diffusion coefficient, and shear viscosity of soft-sphere fluids, in which the particles interact through the soft-sphere or inverse power pair potential. The…
We present a theoretical study of transport properties of a liquid comprised of particles uist1:/home/sokrates/egorov/oldhome/Pap41/Submit > m abs.tex We present a theoretical study of transport properties of a liquid comprised of particles…
We study compressible fluid flow in narrow two-dimensional channels using a novel molecular dynamics simulation method. In the simulation area, an upstream source is maintained at constant density and temperature while a downstream…
The structural and thermodynamic properties of fluids whose molecules interact via potentials with a hard-core plus a square well, a square shoulder, and a second square well, are considered. Those properties are derived by using a…
The transport properties of the quark gluon plasma (QGP) are studied in a QCD medium at finite temperature and chemical potential. We calculate the shear viscosity $\eta(T,\mu_q)$ and the electric conductivity $\sigma_e(T,\mu_q)$ for a…
Detailed calculations of the transport coefficients of a recently introduced particle-based model for fluid dynamics with a non-ideal equation of state are presented. Excluded volume interactions are modeled by means of biased stochastic…
The main goal of this work is to accurately reproduce the structural properties of attractive systems modelled by hard-sphere plus square-well (HS+SW) interaction potential. Based on the optimized random phase approximation (ORPA), the…
Molecular dynamics simulation is a prominent way of analyzing the dynamic properties of a system. The molecular dynamics simulation of diffusion, an important transport property, of dilute solution of cysteine in SPCE water at five…
Transport properties of dense liquid helium under the conditions of planet's core and cool atmosphere of white dwarfs have been investigated by using the improved centroid path-integral simulations combined with density functional theory.…
A model for the radial distribution function $g(r)$ of a square-well fluid of variable width previously proposed [S. B. Yuste and A. Santos, J. Chem. Phys. {\bf 101}, 2355 (1994)] is revisited and simplified. The model provides an explicit…
We calculate thermodynamic and structural quantities of a fluid of hard spheres of diameter $\sigma$ in a quasi-one-dimensional pore with accessible pore width $W $ smaller than $\sigma$ by applying a perturbative method worked out earlier…
The transport coefficient of shear viscosity is studied for a hadron matter through microscopic transport model, the Ultra--relativistic Quantum Molecular Dynamics (UrQMD), using the Green--Kubo formulas. Molecular--dynamical simulations…
The intermolecular potential plays crucial roles in real-fluid interactions away from the ideal-gas equilibrium, such as supercritical fluid, high-enthalpy fluid, plasma interactions, etc. We propose a Boltzmann-weighted Full-dimensional…