Monte Carlo simulation of particle aggregation and gelation: II. Pair correlation function and structure factor期刊界 All Journals 搜尽天下杂志传播学术成果专业期刊搜索期刊信息化学术搜索

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Monte Carlo simulation of particle aggregation and gelation: II. Pair correlation function and structure factor

Authors:	M?Rottereau Email author" target="_blank">J?C?Gimel Email author T?Nicolai D?Durand

Institution:	(1) Polyméres Colloïdes Interfaces, UMR CNRS, Université du Maine, F-72085 Le Mans cedex 9, France

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.Received: 27 April 2004, Published online: 26 October 2004PACS: 64.60.Ak Renormalization-group, fractal, and percolation studies of phase transitions - 02.70.Uu Applications of Monte Carlo methods

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