CONTROLLING EVAPORATION INDUCED SELF-ASSEMBLY OF POLYMERIC NANOPARTICLES: A VOF-DPD STUDY

A mesoscopic simulation method combining multiphase Volume of Fluid (VOF) method and Dissipative Particle Dynamics (DPD) is employed to investigate and control self-assembly of charged polymeric nanoparticles in microdroplet solution deposited on plane substrate during solvent evaporation. A droplet evaporation model is first developed and validated. A coupling scheme between the CFD and the DPD simulation for particles is then presented. The DPD simulation includes the DLVO forces between the particles, their interaction with the substrate surface, Stokes drag, Brownian, and capillary forces. Numerical results show qualitative agreement with available experimental results. The proposed simulation method is expected to provide valuable tools for controlling and optimizing self-assembly of nanoparticles.