Non-equilibrium Molecular Dynamics Simulation of Dense Fluid Methane

Investigation of isomorph-invariance in liquid methane by molecular dynamics simulation

In this paper, isomorph invariance of liquid methane is investigated by means of constant-NVT molecular dynamics simulations. According to the data extracted from simulations, equilibrium fluctuations show strong correlation between potential energy U and virial W. We also generated isomorph state points and investigated invariance of certain thermodynamic, structural, and dynamical properties....

Long Range Corrections to the Vapor-Liquid Equilibrium and Surface Tension of Methane with NVT Molecular Dynamics Simulations

Multiphase flow and tromp curve simulation of dense medium cyclones using Computational Fluid Dynamics

Dense Medium Cyclone is a high capacity device that is widely used in coal preparation. It is simple in design but the swirling turbulent flow, the presence of medium and coal with different density and size fraction and the presence of the air-core make the flow pattern in DMCs complex. In this article the flow pattern simulation of DMC is performed with computational fluid dynamics and Fluent...

Non-Equilibruim Molecular Dynamics Simulation of Poiseuille Flow in a Nanochannel

The numerical simulation of a Poiseuille flow in a narrow channel using the molecular dynamics simulation (MDS) is performed. Poiseuille flow of liquid Argon in a nanochannel is simulated by embedding the fluid particles in a uniform force field. Density, velocity and Temperature profiles across the channel are investigated. When particles will be inserted into the flow, it is expected that the...

Prediction of Fluid Mixture Transport Properties by Molecular Dynamics

Equilibrium molecular dynamics simulations of mixtures of n-decane with methane, ethane, and carbon dioxide and of the mixture carbon dioxide-ethane were performed using the anisotropic united atoms model for n-decane and oneand two-center Lennard-Jones models for the light components. The GreenKubo relations were used to calculate the viscosity, thermal conductivity, and interand intradiffusio...