Calculating Phase Diagrams for Nanocomposites: The Effect of Adding End-Functionalized Chains to Polymer/Clay Mixtures

Composite materials such as clay sheets intermixed with polymershave important potential applications; however, some fundamental properties remain to be understood. The equilibrium phase behavior of polymer–clay nanocomposites is examined here. The authors build on their recently proposed model that combines self-consistent field theory with density functional theory, introducing a parameter for characterizing interface interactions. Tuning both this parameter and the clay content enables the authors to draw the equilibrium phase diagram for the model nanocomposite.