Abstract The Stokes-Einstein (SE) relation for pure liquids of various non-spherical
molecules is examined using molecular dynamics simulation. The SE relation obeys …

The equilibrium molecular dynamics (MD) simulation method is utilized to compute the
equation of state, pair correlation function, and transport coefficients of the Weeks–Chandler …

We present neutron and x-ray scattering data (a 2 N+ X experiment) of liquid CO 2 and CS 2
at a density of about 10 molecules/nm 3⁠. Because the scattering length contrast of the …

The vapor-liquid phase envelope of Mie (14, 7) fluids is determined by the Gibbs ensemble
Monte Carlo (MC) simulation technique. The NV T-MC simulation method is then utilized to …

A comprehensive investigation is conducted to study the thermodynamics, structure, and
mean free volume of rigid two-center Lennard-Jones fluids through Monte Carlo simulations …

An ab initio interaction potential available in literature is scaled via an empirical procedure
and used in an extensive computer simulation study to investigate the thermodynamic …

Volumetric Investigations of High-Pressure Propane and Acid Gas Fluids Page 1 University of
Calgary PRISM Repository https://prism.ucalgary.ca The Vault Open Theses and Dissertations …

Computer simulations and various theories are applied to compute the thermodynamic and
transport properties of nitrogen fluid. To model the nitrogen interaction, an existing potential …

We carry out extensive computer simulations to study the phase equilibrium,
thermodynamics, and diffusion coefficient of three-center Lennard-Jones (3CLJ) fluids with …

In this studies, an analytical equation of state proposed by Ihm-Song-Mason was employed
to calculate the density of aromatic-compounds including: benzene, anisole, bromobenzene …