多尺度模擬在奈米膠粒的粒間作用研究(1/2)
Date Issued
2003
Date
2003
Author(s)
DOI
912211E002088
Abstract
The main objective of this research is to develop multiscale modeling techniques and
simulation toolkits for studying colloidal nanoparticle interactions. In the first year,
we have studied: (1) inter-particle mechanisms and their corresponding numerical
models for colloids, and (2) stochastic nature of Brownian dynamics and its
integration with a deterministic discrete element method.
Surface forces dominate the particle interactions under microscopic scales.
From the cut-off distances, the inter-particle forces can be classified into the
long-ranged, short-ranged and very-short-ranged interaction forces. In the first year,
we have studied theories for these interaction forces and implemented the
corresponding numerical models in a discrete element simulation.
The effects of collisions with solvent molecules have also been studied in the
first year. The stochastic nature of collisions has been incorporated through the
machinery of Brownian dynamics. Integrating Brownian dynamics with a discrete
element simulation improves the predictive abilities for colloidal particle dynamics.
The nano-sized SiC particles in electro-plating solution were modeled. The
simulation results indicated that Brownian dynamics primarily dominated the
agglomeration processes of colloids.
Publisher
臺北市：國立臺灣大學土木工程學系暨研究所
Type
report
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