Peer-Reviewed Journal Details
Mandatory Fields
Cheung, David L.;Schmid, Friederike
2004
May
Journal Of Chemical Physics
A density-functional theory study of the confined soft ellipsoid fluid
Published
()
Optional Fields
120
19
9185
9191
A system of soft ellipsoid molecules confined between two planar walls is studied using classical density-functional theory. Both the isotropic and nematic phases are considered. The excess free energy is evaluated using two different Ansa¨tze and the intermolecular interaction is incorporated using two different direct correlation functions ~DCF’s!. The first is a numerical DCF obtained from simulations of bulk soft ellipsoid fluids and the second is taken from the 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.
http://scitation.aip.org/content/aip/journal/jcp/120/19/10.1063/1.1703522
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