Abstract.
Diffusion-limited cluster aggregation and gelation are studied using lattice and off-lattice Monte Carlo simulations. The pair correlation function g(r) and the structure factor S(q) of the particle gels were investigated as a function of the volume fraction (\(0.5\mbox{--}49\%\)) and time. At volume fractions below \(5\%\), the gel structure is fractal on small length scales with \(d_{\rm f} = 1.8\). g(r) shows a weak minimum at the correlation length (\(\xi\)), before reaching the average concentration at large length scales. The cut-off function of g(r) varies during the aggregation process, but at a given \(t/t_{\rm g}\), where \(t_{\rm g}\) is the gel time, it is a universal function of \(r/\xi\). At high volume fractions, the structure is dominated by excluded-volume interactions, while at low volume fractions, it is determined by the connectivity.
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Received: 27 April 2004, Published online: 26 October 2004
PACS:
64.60.Ak Renormalization-group, fractal, and percolation studies of phase transitions - 02.70.Uu Applications of Monte Carlo methods
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Rottereau, M., Gimel, J.C., Nicolai, T. et al. Monte Carlo simulation of particle aggregation and gelation: II. Pair correlation function and structure factor. Eur. Phys. J. E 15, 141–148 (2004). https://doi.org/10.1140/epje/i2004-10045-9
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DOI: https://doi.org/10.1140/epje/i2004-10045-9