Ma. Bates et D. Frenkel, INFLUENCE OF POLYDISPERSITY ON THE PHASE-BEHAVIOR OF COLLOIDAL LIQUID-CRYSTALS - A MONTE-CARLO SIMULATION STUDY, The Journal of chemical physics, 109(14), 1998, pp. 6193-6199
Using isobaric semigrand Monte Carlo simulations, we have investigated
the phase behavior of a model for polydisperse rodlike colloids. The
system consists of hard spherocylinders in the limit of infinite aspec
t ratio, with polydispersity in the length of the particles. If the po
lydispersity is small (standard deviation s<0.08), the phase behavior
is essentially unchanged from that observed in monodisperse systems; t
hus nematic, smectic, and crystal phases are exhibited. For an interme
diate range of polydispersities (0.08<s<0.18), the smectic phase is fo
und to become increasingly destabilized with respect to the nematic ph
ase at low densities and a columnar phase at high densities. This even
tually leads to a terminal polydispersity (s approximate to 0.18) abov
e which the smectic phase is no longer stable. Beyond this value, only
nematic and columnar phases are observed. (C) 1998 American Institute
of Physics.