Morozova Tatiana I, Lee Victoria E, Bizmark Navid, Datta Sujit S, Prud'homme Robert K, Nikoubashman Arash, Priestley Rodney D
Institute of Physics, Johannes Gutenberg University Mainz, Staudingerweg 7, 55128 Mainz, Germany.
Department of Chemical and Biological Engineering, Princeton University, Princeton, New Jersey 08544, United States.
ACS Cent Sci. 2020 Feb 26;6(2):166-173. doi: 10.1021/acscentsci.9b00974. Epub 2020 Jan 24.
A new technology platform built on the integration of theory and experiments to enable the design of Janus colloids with precision control of surface anisotropy and amphiphilicity could lead to a disruptive transformation in the next generation of surfactants, photonic or phononic materials, and coatings. Here, we exploit molecular dynamics (MD) simulations to guide the rational design of amphiphilic polymer Janus colloids by Flash NanoPrecipitation (FNP), a method capable of the production of colloids with complex structure without the compromise of reduced scalability. Aided by in silico design, we show in experiments that amphiphilic Janus colloids can be produced using a unique blend of hydrophobic homopolymers and the addition of an amphiphilic block copolymer. The final structure of the colloids depends on the mass fraction of each homopolymer as well as the concentration and composition of the block copolymer additive. To confirm the surface activity of the colloids, we demonstrate their potential to stabilize Pickering emulsions. This hybrid approach of simulations and experiments provides a pathway to designing and manufacturing complex polymeric colloids on an industrial scale.
一种基于理论与实验相结合构建的新技术平台，能够精确控制表面各向异性和两亲性来设计Janus胶体，这可能会给下一代表面活性剂、光子或声子材料以及涂层带来颠覆性变革。在此，我们利用分子动力学（MD）模拟来指导通过快速纳米沉淀法（FNP）合理设计两亲性聚合物Janus胶体，该方法能够生产具有复杂结构的胶体，且不会影响其可扩展性。借助计算机辅助设计，我们在实验中表明，使用疏水性均聚物的独特混合物并添加两亲性嵌段共聚物，可以制备两亲性Janus胶体。胶体的最终结构取决于每种均聚物的质量分数以及嵌段共聚物添加剂的浓度和组成。为了证实胶体的表面活性，我们展示了它们稳定皮克林乳液的潜力。这种模拟与实验相结合的方法为在工业规模上设计和制造复杂的聚合物胶体提供了一条途径。
