2018 Volume 26 Pages 135-139
One of the biggest problems when computational approaches are applied for novel engineering targets is that the software often does not support necessary inter-particle force models or boundary conditions needed to reproduce proper situations. Many previous simulation studies are based mostly on scientific and academic interests or focusing only on whether already known experimental results are correctly reproduced or whether the reliability of the model is acceptable. This prevents computational approaches to be used as an effective tool to develop new materials and processes. In this project, we aimed to enhance the applicability and functionality of a colloid simulator KAPSEL, which has been developed by ourselves. Specifically, we have achieved the following points.
1) DLVO model was implemented as an interparticle force model for efficiently simulating charged particle dispersions with thinner electric double layer compared to the particle diameter.
2) The simulation code is parallelized so that more realistic larger-scale systems can be simulated.
3) The external-electric-field induced anisotropic interaction between like-charged colloidal particles is calculated.