3 research outputs found
Lattice-gas Monte Carlo study of adsorption in pores
A lattice gas model of adsorption inside cylindrical pores is evaluated with
Monte Carlo simulations. The model incorporates two kinds of site: (a line of)
``axial'' sites and surrounding ``cylindrical shell'' sites, in ratio 1:7. The
adsorption isotherms are calculated in either the grand canonical or canonical
ensembles. At low temperature, there occur quasi-transitions that would be
genuine thermodynamic transitions in mean-field theory. Comparison between the
exact and mean-field theory results for the heat capacity and adsorption
isotherms are provided
Phase transitions and ordering of confined dipolar fluids
We apply a modified mean-field density functional theory to determine the
phase behavior of Stockmayer fluids in slitlike pores formed by two walls with
identical substrate potentials. Based on the Carnahan-Starling equation of
state, a fundamental-measure theory is employed to incorporate the effects of
short-ranged hard sphere - like correlations while the long-ranged
contributions to the fluid interaction potential are treated perturbatively.
The liquid-vapor, ferromagnetic liquid - vapor, and ferromagnetic liquid -
isotropic liquid first-order phase separations are investigated. The local
orientational structure of the anisotropic and inhomogeneous ferromagnetic
liquid phase is also studied. We discuss how the phase diagrams are shifted and
distorted upon varying the pore width.Comment: 15 pages including 8 figure