Structure factors of polydisperse systems of hard spheres: A comparison of Monte Carlo simulations and Percus-Yevick theory

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Abstract

We present Monte Carlo (MC) simulations of the structure factors of polydisperse hard-sphere fluids. The simulations were carried out for 108 particles and packing fractions up to φ=0.5. The size distribution of the particles was chosen randomly from a log-normal distribution. The MC results are compared with predictions obtained using Percus-Yevick approximation. It is found that for all but the highest densities and the highest polydispersities studied, the Percus-Yevick approximation provides a satisfactory description of the MC data. © 1986 American Institute of Physics.

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Frenkel, D., Vos, R. J., De Kruif, C. G., & Vrij, A. (1986). Structure factors of polydisperse systems of hard spheres: A comparison of Monte Carlo simulations and Percus-Yevick theory. The Journal of Chemical Physics, 84(8), 4625–4630. https://doi.org/10.1063/1.449987

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