H. Zhong et Rg. Petschek, PERCUS-YEVICK APPROXIMATION FOR FLUIDS WITH SPONTANEOUS PARTIAL ORDER- RESULTS FOR A SEPARABLE MODEL, Physical review. E, Statistical physics, plasmas, fluids, and related interdisciplinary topics, 53(5), 1996, pp. 4944-4954
Recently we have applied the Percus-Yevick approximation to nematic fl
uids with partial spontaneous order using a diagrammatic implementatio
n of a Ward identity. In this paper we apply the method to study the i
sotropic-nematic phase transition of a separable model, where the inte
rparticle potential independently depends on the spatial separation an
d the relative orientation of the particles. This approach allows us t
o study the transition directly without other approximations besides t
he Percus-Yevick closure itself. Previous works of the integral equati
on method on phase transitions were based on the stability criterion o
r coexistence condition derived from a truncated density functional ex
pansion. By calculating the correlation functions of the isotropic pha
se and applying the stability criterion, we find that within the Percu
s-Yevick approximation there are no numerical solutions indicating an
isotropic-nematic phase transition, in agreement with the work by Pere
ra and co-workers [Mel. Phys. 60, 77 (1987); J. Chem. Phys. 89, 6941 (
1988)]. With this approach, however, we can determine the orientationa
lly dependent probability density rho self-consistently and we find th
e orientationally partially ordered nematic phase within the Percus-Ye
vick approximation. With a general qualitative analysis, we show that
the stability limit within the Percus-Yevick approximation is highly u
nstable numerically, which may explain why no numerical solutions reac
hing the stability limit have been found in previous works for either
isotropic-nematic or nematic-smectic phase transitions. We also show a
nalytically that the stability criterion can be derived from the Ward
identity.