La. Davies et al., Simulation study of the link between molecular association and reentrant miscibility for a mixture of molecules with directional interactions, PHYS REV L, 82(26), 1999, pp. 5285-5288
The reentrant liquid-liquid miscibility of a symmetrical mixture with highl
y directional bonding interactions is studied by Gibbs ensemble Monte Carlo
simulation. The resulting closed loop of immiscibility and the correspondi
ng lower critical solution temperature are shown to be a direct consequence
of the dramatic increase in association between unlike components as the t
emperature is lowered. Our exact calculations for an off-lattice system wit
h a well-defined anisotropic potential confirm the findings of previous the
oretical studies.