Abstract
This work builds the phase diagrams of hard spherocylinders for aspect ratios of 8, 10 and 16 in the quasi-two-dimensional regime. The fact that these phase diagrams share similar characteristics allows for the construction of a master phase diagram. Besides delimiting the isotropic, nematic, and solid phases, particular attention is paid to the wetting behavior of the particles on the confining walls.
Highlights
The rich phase behavior of hard body fluids depends very strongly on the shape of the particles [1] and the confining dimension [2,3]
We study the phase behavior of hard spherocylinders which are placed between two parallel walls using replica exchange Monte Carlo simulations and Onsager theory
We have constrained the particles to the pore width range σ < H < 2σ
Summary
The rich phase behavior of hard body fluids depends very strongly on the shape of the particles [1] and the confining dimension [2,3]. It must be taken into account that the properties of 2D and 3D nematic phases are qualitatively different This can be seen in the system of hard spherocylinders placed in a slitlike pore, where the hard flat surfaces induce a planar adsorption and a surface phase transition between orientationally disordered and ordered surface layers (2D I-N ordering) with increasing density in the pore. Wetting of the walls occurs at lower ρ values with increasing the pore width H, whereas the opposite tendency can be seen for the single-layer-solid (SLS) formation curve All these results are summarized in a phase diagram, which share similar features for all studied κ values. The wetting lines, the maximal packing density lines, and the two-layer-solid (TLS) formation lines approximately collapse to define master curves
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