Density and Polarization Profiles of Dipolar Hard Ellipsoids Confined between Hard Walls: A Density Functional Theory Approach
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Abstract:
The density and polarization profiles of the dipolar hard ellipsoids confined between hard walls are studied using the density functional theory (DFT). The Hyper-Netted Chain (HNC) approximation is used to write excess grand potential of the system with respect to the bulk value. The number density is expanded up to zero and first order in polarization to find the results. For the zero order in polarization, the coupled integral equations for the directional densities are obtained. Then for the first order in polarization the coupled integral equations for the directional densities and polarization profiles are obtained. To simplify the calculations we use restricted orientation model (ROM) for the orientation of ellipsoids to find the density and polarization profiles. We also apply an electric field and write an expression for the excess grand potential of the system and obtain the coupled integral equations for the density and polarization profiles again. Finally we calculate the density and polarization profiles for different cases and compare the obtained results.
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Journal title
volume 5 issue 1
pages 153- 166
publication date 2017-03-01
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