Molecular Dynamics approach of sol-gel transition: comparison with experiments - Archive ouverte HAL
Article Dans Une Revue Physica A: Statistical Mechanics and its Applications Année : 2005

Molecular Dynamics approach of sol-gel transition: comparison with experiments

Résumé

A new aggregation model by a Molecular Dynamics approach at constant temperature was compared with experimental results on a zirconia precursor gelling process. The evolution of the distribution of the experimental scattered intensities (small angle X-ray scattering curves), during gelling, was compared with the results of our Molecular Dynamics method, via the computation of structure factors of the numerical structure for different times: a very good agreement was found. Our numerical model allows one to understand the evolution as a function of time of the size and quantity of matter corresponding to the upper limit of the fractal domain.

Dates et versions

hal-00386809 , version 1 (22-05-2009)

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Nathalie Olivi-Tran, P. Lenormand, André Lecomte, A. Dauger. Molecular Dynamics approach of sol-gel transition: comparison with experiments. Physica A: Statistical Mechanics and its Applications, 2005, 354, pp.10-18. ⟨10.1016/j.physa.2005.02.034⟩. ⟨hal-00386809⟩
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