We describe molecular dynamics simulations performed to study the rapid mixing of a homopolymer or polymer blend in solution with a miscible non-solvent. In agreement with experiments, we observe that polymers self-assemble into nanoparticles, including Janus and core-shell particles in the blend case, when the good solvent is displaced by the poor solvent. The emerging structures can be predicted based on the surface tensions between the polymers, as well as between the polymers and the surrounding liquid. Furthermore, the size of the nanoparticles can be independently tuned through the mixing rate and the polymer concentration in the feed stream. Our results demonstrate that this "flash nanoprecipitation" process is highly promising for the production of structured nanoparticles in a continuous and scalable way with independent and precise control over particle size, morphology and composition.

Simulations of homogeneous and structured polymeric nanoparticle formation through rapid solvent exchange

254th National Meeting (2017)

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