The Stokes-Einstein relation for non-spherical molecular liquids
N Ohtori, Y Kondo, K Shintani, T Murakami… - Chemistry …, 2020 - academic.oup.com
Abstract The Stokes-Einstein (SE) relation for pure liquids of various non-spherical
molecules is examined using molecular dynamics simulation. The SE relation obeys …
molecules is examined using molecular dynamics simulation. The SE relation obeys …
Thermodynamic and transport properties of the Weeks–Chandler–Andersen fluid: Theory and computer simulation
A Eskandari Nasrabad - The Journal of Chemical Physics, 2008 - pubs.aip.org
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 …
equation of state, pair correlation function, and transport coefficients of the Weeks–Chandler …
The structure of liquid carbon dioxide and carbon disulfide
J Neuefeind, HE Fischer, JM Simonson… - The Journal of …, 2009 - pubs.aip.org
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 …
at a density of about 10 molecules/nm 3. Because the scattering length contrast of the …
Monte Carlo simulations of thermodynamic and structural properties of Mie (14, 7) fluids
AE Nasrabad - The Journal of chemical physics, 2008 - pubs.aip.org
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 …
Monte Carlo (MC) simulation technique. The NV T-MC simulation method is then utilized to …
Self-diffusion coefficient of two-center Lennard-Jones fluids: Molecular simulations and free volume theory
AE Nasrabad - The Journal of chemical physics, 2009 - pubs.aip.org
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 …
mean free volume of rigid two-center Lennard-Jones fluids through Monte Carlo simulations …
Theory and atomistic simulation of krypton fluid
A Eskandari Nasrabad - The Journal of Chemical Physics, 2008 - pubs.aip.org
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 …
and used in an extensive computer simulation study to investigate the thermodynamic …
[PDF][PDF] Volumetric Investigations of High-Pressure Propane and Acid Gas Fluids
AJ Commodore - 2021 - prism.ucalgary.ca
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 …
Calgary PRISM Repository https://prism.ucalgary.ca The Vault Open Theses and Dissertations …
Thermodynamic and transport properties of nitrogen fluid: Molecular theory and computer simulations
AE Nasrabad, R Laghaei - Chemical Physics, 2018 - Elsevier
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 …
transport properties of nitrogen fluid. To model the nitrogen interaction, an existing potential …
The Influence of Bond Angle on Thermophysical Properties of Three-Center Lennard-Jones Fluids: Computer Simulation and Theory
R Laghaei, AE Nasrabad - Zeitschrift für Physikalische Chemie, 2019 - degruyter.com
We carry out extensive computer simulations to study the phase equilibrium,
thermodynamics, and diffusion coefficient of three-center Lennard-Jones (3CLJ) fluids with …
thermodynamics, and diffusion coefficient of three-center Lennard-Jones (3CLJ) fluids with …
Prediction of Density for Aromatic-Compounds from the Statistical-Thermodynamically Perturbation Theory Based Equation of State
B Haghighi, S Zeinali, AR Zabeti… - Asian Journal of …, 2011 - hero.epa.gov
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 …
to calculate the density of aromatic-compounds including: benzene, anisole, bromobenzene …