A holistic computational model for prediction of clay suspension structure

Abstract

Abstract The formation of clay suspensions involves complex interactions among clay particles subjected to the geochemical environment during the sedimentation process. The structural characteristics have a major influence on the physical and mechanical behavior of the suspension. A modeling framework involving a Discrete Element Method (DEM) model with customized particle mechanical interactions is proposed in this paper for the holistic prediction of the physical structure of clay suspensions. The particle interaction force model is based on the Derjaguin, Landau, Verwey, and Overbeek (DLVO) theory that accounts for electrostatic repulsion, van der Waals attraction, contact repulsion, etc. Kaolinite is used as the model clay to demonstrate the model performance. The surface charge density of kaolinite is obtained through Atomic Force Microscope (AFM) force measurement and is implemented in the particle interaction force model in the subsequent simulations. Influencing factors, such as centrifugal acceleration, ionic concentration, platy structure of particles, and particle size, on the formation of kaolinite suspensions are studied with the numerical model and compare favorably well with the experimental data. This work lays down a unique framework consisting of computational modeling and microscale characterization of clay particles to holistically predict the characteristics of clay suspensions, which paves the basis to model and predict their bulk physical and mechanical behavior.