4.7 Article

Bulk phase behavior of binary hard platelet mixtures from density functional theory

期刊

PHYSICAL REVIEW E
卷 81, 期 4, 页码 -

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AMER PHYSICAL SOC
DOI: 10.1103/PhysRevE.81.041401

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  1. EPSRC-GB
  2. HP Laboratories, Bristol
  3. DFG [SFB840/A3]

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We investigate isotropic-isotropic, isotropic-nematic, and nematic-nematic phase coexistence in binary mixtures of circular platelets with vanishing thickness, continuous rotational degrees of freedom, and radial size ratios lambda up to 5. A fundamental measure density functional theory, previously used for the one-component model, is presented and results are compared against those from Onsager theory as a benchmark. For lambda <1.7 the system displays isotropic-nematic phase coexistence with a widening of the biphasic region for increasing values of lambda. For size ratios lambda >= 2, we find that demixing into two nematic states becomes stable and an isotropic-nematic-nematic triple point can occur. Fundamental measure theory gives a smaller isotropic-nematic biphasic region than Onsager theory and locates the transition at lower densities. Furthermore, nematic-nematic demixing occurs over a larger range of compositions at a given value of lambda than found in Onsager theory. Both theories predict the same topologies of the phase diagrams. The partial nematic order parameters vary strongly with composition and indicate that the larger particles are more strongly ordered than the smaller particles.

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