乾燥過程におけるコロイドナノ粒子系の自己組織化に対するマルチスケール・シミュレーション手法(流体工学,流体機械)

概要

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A set of numerical models for self-organization of colloidal nanoparticles during drying is developed and evaluated. The two-dimensional Langevin equation is employed to track nanoparticles on a substrate over time. Each nanoparticle is subject to multiscale forces such as capillary forces, contact forces, electrostatic forces, van der Waals forces and friction as well as Brownian forces and fluid drag. Actual nonequilibrium processes are treated by modeling drying of a solvent. Orderliness of the structures of aggregated particles is evaluated quantitatively according to the ordering factor, which is defined using the Delaunay triangulation. Complexity of the structures is evaluated quantitatively according to the complex factor, which is defined by total length of boundaries of aggregates. The magnitudes of multiscale forces are comparable in a short range of interparticle distance, and the magnitude of capillary force and its cut-off distance strongly depend on the interface level. Unsteady behavior of nanoparticles and phase transition from dispersion to aggregation during drying are reasonably reproduced by the present method.
社団法人日本機械学会の論文
2004-09-25