Long-Range Surface-Directed Polymerization-Induced Phase Separation: A Computational Study.

The presence of a surface preferably attracting one component of a polymer mixture by the long-range van der Waals surface potential while the mixture undergoes phase separation by spinodal decomposition is called long-range surface-directed spinodal decomposition (SDSD). The morphology achieved under SDSD is an enrichment layer(s) close to the wall surface and a droplet-type structure in the bulk. In the current study of the long-range surface-directed polymerization-induced phase separation, the surface-directed spinodal decomposition of a monomer-solvent mixture undergoing self-condensation polymerization was theoretically simulated.

Computer Simulation of Anisotropic Polymeric Materials Using Polymerization-Induced Phase Separation under Combined Temperature and Concentration Gradients.

In this study, the self-condensation polymerization of a tri-functional monomer in a monomer-solvent mixture and the phase separation of the system were simultaneously modeled and simulated. Nonlinear Cahn-Hilliard and Flory-Huggins free energy theories incorporated with the kinetics of the polymerization reaction were utilized to develop the model. Linear temperature and concentration gradients singly and in combination were applied to the system.