Electrostatic Dissipative Particle Dynamics Modeling of Self-assembly in Complex Electrosprayed Droplets

Self-limiting electrospray deposition is a phenomenon that controls film thickness by stopping material deposition once a specific layer thickness is achieved. This behavior can be attributed to the charge built-up in the dielectric polymer film during the deposition process. We hypothesize that charge transport is affected by the spatial distribution of solvent and polymer phase (amorphous or crystalline). We performed computational simulations to test this hypothesis in highly charged droplets containing polymer chains and rigid particles. Using electrostatic dissipative particle dynamics (EDPD), we modeled a system that incorporates solvent evaporation, polymer chain dynamics, and electrostatics interactions. We probed the effects of polymer chain rigidity polymer assembly during solvent evaporation and the spatiotemporal variations in solvent and charge distribution in the electrosprayed droplets. These results provide important insights into the self-limiting mechanism in complex fluid electrospray.