Fundamental Pair Interactions and Applications for Colloidal Silica Particles by Coarse-Grained Simulations

摘要

In the first part of this presentation, we introduce how the fundamental pair interactions for colloidal silica particles may be constracted from a self-consistent mapping procedure and coarse-grained simulation without introducing adjustable parameters. Force fields for silica particles with diameter ranging from 1 nm to 100 nm are reported and tabulated in a simple analytical form. In the second part, we describe how the previously obtained force fields may be utilized for modeling rod-like colloidal systems. Focus is on exploring the effects of force field and particulate aspect ratio on the thermodynamic and rheological properties.