A density functional approach to freezing transitions in molecular fluids: Dipolar hard spheres

1987 ◽  
Vol 86 (7) ◽  
pp. 4146-4156 ◽  
Author(s):  
William E. McMullen ◽  
David W. Oxtoby
Keyword(s):  
Density Functional ◽  
Hard Spheres ◽  
Functional Approach ◽  
Molecular Fluids

The structure of associating hard spheres adsorbed on crystalline solids: a density functional approach

1999 ◽  
Vol 96 (5) ◽  
pp. 885-892 ◽  
Author(s):  
R. ZAGÓRSKI ◽  
M. BORÓWKO ◽  
S. SOKOŁOWSKI ◽  
O. PIZIO
Keyword(s):  
Density Functional ◽  
Hard Spheres ◽  
Functional Approach ◽  
Crystalline Solids

Effect of elastic constants of liquid crystals in their electro-optical properties

2017 ◽  
Vol 14 (11) ◽  
pp. 1750163
Author(s):  
Z. Parang ◽  
T. Ghaffary ◽  
M. M. Gharahbeigi
Keyword(s):  
Optical Properties ◽  
Liquid Crystals ◽  
Elastic Constants ◽  
Density Functional ◽  
Hard Spheres ◽  
Hard Core ◽  
Molecular Fluids ◽  
Dipolar Fluid ◽  
The Density Functional Theory ◽  
Complex Liquids

Recently following the success of the density functional theory (DFT) in obtaining the structure and thermodynamics of homogeneous and inhomogeneous classical systems such as simple fluids, dipolar fluid and binary hard spheres, this theory was also applied to obtain the density profile of a molecular fluid in between hard planar walls by Kalpaxis and Rickayzen. In the theory of molecular fluids, the direct correlation function (DCF) can be used to calculate the equation of state, free energy, phase transition, elastic constants, etc. It is well known that the hard core molecular models play an important role in understanding complex liquids such as liquid crystals. In this paper, a classical fluid of nonspherical molecules is studied. The required homogeneous (DCF) is obtained by solving Orenstein–Zernike (OZ) integral equation numerically. Some of the molecules in the liquid crystals have a sphere shape and this kind of molecular fluid is considered here. The DCF sphere of the molecular fluid is calculated and it will be shown that the results are in good agreement with the pervious works and the results of computer simulation. Finally the electro-optical properties of ellipsoid liquid crystal using DCF of these molecules are calculated.

Sign in / Sign up

Export Citation Format

Share Document