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Role of length-polydispersity on the phase behavior of freely-rotating hard-rectangle fluid

Published 7 Feb 2017 in cond-mat.soft | (1702.01993v1)

Abstract: We used the Density Functional formalism, in particular the Scaled Particle Theory, applied to a length-polydisperse hard-rectangular fluid to study its phase behavior as a function of the mean particle aspect ratio (κ0\kappa_0) and polydispersity (Δ0\Delta_0). The numerical solutions of the coexistence equations were calculated by transforming the original problem with infinite degrees of freedoms to a finite set of equations for the amplitudes of the Fourier expansion of the moments of the density profiles. We divided the study into two parts: The first one is devoted to the calculation of the phase diagrams in the packing fraction (η0\eta_0)- κ0\kappa_0 plane for a fixed Δ0\Delta_0 and selecting parent distribution functions with exponential (the Schulz distribution) or Gaussian decays. In the second part we study the phase behavior in the η0\eta_0-Δ0\Delta_0 plane for fixed κ0\kappa_0 while Δ0\Delta_0 is changed. We characterize in detail the orientational ordering of particles and the fractionation of different species between the coexisting phases. Also we study the character (second vs. first order) of the Isotropic-Nematic phase transition as a function of polydispersity. We particularly focused on the stability of the Tetratic phase as a function of κ0\kappa_0 and Δ0\Delta_0. The Isotropic-Nematic transition becomes strongly of first order when polydispersity is increased: the coexisting gap widens and the location of the tricritical point moves to higher values of κ0\kappa_0 while the Tetratic phase is slightly destabilized with respect to the Nematic one. The results obtained here can be tested in experiments on shaken monolayers of granular rods.

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