Electronic Resource
College Park, Md.
:
American Institute of Physics (AIP)
The Journal of Chemical Physics
89 (1988), S. 6941-6946
ISSN:
1089-7690
Source:
AIP Digital Archive
Topics:
Physics
,
Chemistry and Pharmacology
Notes:
The isotropic–nematic phase transition is investigated for several model liquid crystals using the density functional method. The models considered are hard ellipsoids of revolution (both prolate and oblate cases), hard spherocylinders, and two additional fluids characterized by pair potentials of a generalized Maier–Saupe type. The direct pair correlation functions for the isotropic phase are obtained by numerical solution of the hypernetted-chain (HNC) and Percus–Yevick (PY) integral equation theories. It is shown that second order density functional theory is strongly dependent upon the approximation used for the isotropic direct pair correlation function. In all cases the density functional results are qualitatively consistent with conclusions based upon orientational stability criteria.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1063/1.455319
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