Aggregation and Cluster Composition in Latex-Pigment Mixtures: A Molecular Simulation Study

Aggregation and stability of colloidal suspensions is important in many applications, ranging from food products to paints. Composite and aggregate formation in high-end latex-based coatings is not well understood on the fundamental level. Using molecular dynamics simulations, we aim to provide insights into cluster formation in a mixed system of latex and pigment particles. Understanding this system is challenging, as the system contains not only latex and pigment particles, which are comprised of multiple layers, but dispersants and other additives that affect the cross and self-interactions of all components. We will provide insights to this system to understand how the interactions between different components will affect the aggregation of clusters, and hence the final mechanical and optical properties of the formed paint films. By varying the amount of latex compared to pigment in the system, the total volume fraction of latex and pigment, and the strength of the cross- and self-interactions we investigate cluster size, shape, composition, and the system's propensity to aggregate.