A density functional theory study of the confined soft ellipsoid fluid

Details A density functional theory study of the confined soft ellipsoid fluid A density functional theory study of the confined soft ellipsoid fluid

2004-05-28

arxiv.org/abs/cond-mat/0405682v1

J. Chem. Phys. 120, 9185 (2004)

Physics

Condensed Matter

Materials Science

Scientific paper

10.1063/1.1703522

A system of soft ellipsoid molecules confined between two planar walls is studied using classical Density Functional Theory (DFT). Both the isotropic and nematic phases are considered. The excess free energy is evaluated using two different Ansaetze and the intermolecular interaction is incorporated using two different direct correlation functions (DCF). The first is a numerical DCF obtained from simulations of bulk soft ellipsoid fluids and the second is taken from Parsons-Lee theory. In both the isotropic and nematic phases the numerical DCF gives density and order parameter profiles in reasonable agreement with simulation. The Parsons-Lee DCF also gives reasonable agreement in the isotropic phase but poor agreement in the nematic phase.

Affiliated with

Also associated with

No associations

Rating

A density functional theory study of the confined soft ellipsoid fluid does not yet have a rating. At this time, there are no reviews or comments for this scientific paper.

If you have personal experience with A density functional theory study of the confined soft ellipsoid fluid, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and A density functional theory study of the confined soft ellipsoid fluid will most certainly appreciate the feedback.

Rate now

Comments { 0 }

Profile ID: LFWR-SCP-O-446003