Triple point of Lennard-Jones fluid in slit nanopore: solidification of critical condensate.

Title Triple point of Lennard-Jones fluid in slit nanopore: Solidification of critical condensate

THE DENSITY PROFILES OF A LENNARD -JONES FLUID CONFINED TO A SLIT

The structure of fluids confined by planar walls is studied using density functional theory. The density functional used is a generalized form of the hypernetted chain (HNC) functional which contains a term third order in the density. This term is chosen to ensure that the modified density functional gives the correct bulk pressure. The proposed density functional applied to a Lennard-Jones...

Lennard-Jones Energy Parameter for Pure Fluids from Scaled Particle Theory

By considering the fact that the surface tension of a real fluid arises from a combination of both repulsive and attractive forces between molecules, a new expression for the interfacial tension has been derived from scaled particle theory (SPT)  based on the work of cavity formation and the interaction energy between molecules. At the critical temperature, the interfacial tension between c...

The Modified Lennard-Jones and Devonshire Equation of State

Lennard-Jones-Devonshire equation of state is an old but theoretical based EOS. The concept of the nearest neighboring molecules or coordination number is proposed to be a function of temperature and volume, whereas it is a constant in the original. The dilute gas and hard sphere limits of molecules are employed to determine this function. Improvement of this modification is demonstrated by pro...

Shift of the azeotropic point of binary Lennard–Jones mixtures confined in a slit-like pore

The Gibbs ensemble Monte Carlo simulation is used to investigate the vapor–liquid phase behavior of a binary Lennard–Jonesmixture confined in a slit-like pore at reduced temperature T* = 1.0. Our simulation program is tested by comparing the simulated phase diagram with the previous simulation results from various methods. Then phase diagrams of a binary asymmetric Lennard–Jones mixture confine...