La. Chick et C. Viney, TRANSITIONS TO ORDERED PHASES IN SYSTEMS CONTAINING ROD-LIKE PARTICLES .2. CONTINUUM MONTE-CARLO APPROACH VERSUS DISCRETE LATTICE MODELS, Molecular crystals and liquid crystals science and technology. Section A, Molecular crystals and liquid crystals, 226, 1993, pp. 41-61
The predictions of the new continuous-placement Monte Carlo (CMC) appr
oach described in the preceding paper are compared with the results ob
tained from the discrete lattice model (DLM) of Flory and Ronca. The c
omparison is made for two-dimensional, monodisperse, athermal systems.
For this purpose, we have adapted the Flory-Ronca model to two dimens
ions, gaining additional insight into the justification for one of the
numerical correction factors used in that model. The CMC and DLM appr
oaches both predict that a uniform (flat) distribution of rod orientat
ions in the anisotropic phase is associated with a first-order isotrop
ic-to-nematic transition, while normally distributed orientations lead
to a continuous transition with increasing rod concentration. The two
models also agree qualitatively with respect to the relative free ene
rgies of different rod orientation distributions in the anisotropic ph
ase. However, the DLM assigns disproportionately high entropy to short
rods (especially at high concentrations) and to disordered phases, so
that the DLM does not generate quantitatively reliable phase diagrams
.