Dresden 2011 – wissenschaftliches Programm
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CPP: Fachverband Chemische Physik und Polymerphysik
CPP 38: Poster: Colloids and Complex Liquids
CPP 38.30: Poster
Mittwoch, 16. März 2011, 17:00–19:00, P2
Hybrid method simulations of clay suspensions — •Hongliu Yang1, Martin Hecht2, and Heike Emmerich1 — 1Bayreuth University, Bayreuth, Germany — 2High Performance Computing Center Stuttgart, Stuttgart, Germany
Clay colloids, in the form of suspensions of platelet particles, are the subject of an enormous recent studies. It is especially due to their widespread applications ranging from drilling, rheology modification for paints, cosmetics, cleansers, and the production of paper, adhesives, synthetic plastics etc. Clay colloid suspensions are different from other colloids by the high anisotropy of the dispersed thin crystalline silicate platelets. Moreover, faces and edges of clay particles may have different types of charges under pH value variation. These factors make the theoretical descriptions of clay suspensions very difficult. A hybrid code with molecular dynamics for clay particles and stochastic rotation dynamics for surrounding fluids is developed by us to simulate clay suspensions. In our simulations clay particles are modeled as charged soft ellipsoids interacting via Gay-Berne potential and screened Coulomb potential. The existence of analytical forms of the mutual interactions makes the calculation of force and torque very efficient. Preliminary results of micro-structures and rheological properties of clay suspensions are reported.