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09 August 2020
  » arxiv » cond-mat/0407390

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Polydisperse hard spheres at a hard wall
Matteo Buzzacchi ; Ignacio Pagonabarraga ; Nigel B. Wilding ;
Date 15 Jul 2004
Subject Soft Condensed Matter; Statistical Mechanics | cond-mat.soft cond-mat.stat-mech
AbstractThe structural properties of polydisperse hard spheres in the presence of a hard wall are investigated via Monte Carlo simulation and density functional theory (DFT). Attention is focussed on the local density distribution $ ho(sigma,z)$, measuring the number density of particles of diameter $sigma$ at a distance $z$ from the wall. The form of $ ho(sigma,z)$ is obtained for bulk volume fractions $eta_b=0.2$ and $eta_b=0.4$ for two choices of the bulk parent distribution: a top-hat form, which we study for degrees of polydispersity $delta=11.5%$ and $delta=40.4%$, and a truncated Schulz form having $delta=40.7%$. Excellent overall agreement is found between the DFT and simulation results, particularly at $eta_b=0.2$. A detailed analysis of $ ho(sigma,z)$ confirms the presence of oscillatory size segregation effects observed in a previous DFT study (Pagonabarraga {em et al.}, Phys. Rev. Lett. {f 84}, 911 (2000)). For large $delta$, the character of these oscillation is observed to depend strongly on the shape of the parent distribution. In the vicinity of the wall, attractive $sigma$-dependent depletion interactions are found to greatly enhance the density of the largest particles. The local degree of polydispersity $delta(z)$ is suppressed in this region, while further from the wall it exhibits oscillations.
Source arXiv, cond-mat/0407390
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