TY - JOUR
ID - 39259
TI - Density and Polarization Profiles of Dipolar Hard Ellipsoids Confined between Hard Walls: A Density Functional Theory Approach
JO - Physical Chemistry Research
JA - PCR
LA - en
SN - 2322-5521
AU - Moradi, Mahmood
AU - Binaei Ghotbabadi, Bahareh
AD - Physics Department, College of Science, Shiraz University, Shiraz, Iran
AD - Physics Department, College of Sciences, Shiraz University, Shiraz 71454, Iran
Y1 - 2017
PY - 2017
VL - 5
IS - 1
SP - 153
EP - 166
KW - Dipolar hard ellipsoids
KW - Density functional theory
KW - Density profile
KW - Polarization profile
KW - Confined fluids
DO - 10.22036/pcr.2017.39259
N2 - 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.
UR - https://www.physchemres.org/article_39259.html
L1 - https://www.physchemres.org/article_39259_c47cc3ba03af89ca2b8a265daff6e34c.pdf
ER -