In suspensions of colloidal particles different types of interactions are in a subtle interplay. In this report we are interested in sub-micro meter sized Al2O3 particles which are suspended in water. Their interactions can be adjusted by tuning the pH-value and the salt concentration. In this manner different microscopic structures can be obtained. Industrial processes for the production of ceramics can be optimized by taking advantage of specific changes of the microscopic structure. To investigate the influences of the pH-value and the salt concentration on the microscopic structure and the properties of the suspension, we have developed a coupled Stochastic Rotation Dynamics (SRD) and Molecular Dynamics (MD) simulation code. The code has been parallelized using MPI. We utilize the pair correlation function and the structure factor to analyze the structure of the suspension. The results are summarized in a stability diagram. For selected conditions we study the process of cluster formation in large scale simulations of dilute suspensions.
|Title of host publication||High Performance Computing in Science and Engineering '07|
|Editors||W.E. Nagel, D. Kröner, M. Resch|
|Place of Publication||Berlin|
|Publication status||Published - 2007|