Scaling Behaviors of Nanoparticle Clusters That Are Driven through Brush-Decorated Nanopores

• DOI: 10.1021/acs.macromol.3c01762
• Publication Date: 2023-10-25T05:09:30Z
• Authors: Cheng-Wu Li; Holger Merlitz; Jens-Uwe Sommer
• Keywords: Nanopore

With the assistance of molecular dynamics simulations, we investigate nanoparticles (NPs) that are driven through a polymer brush-decorated cylindrical channel in marginally poor solvent. The NPs tend to form clusters due repulsive interaction with respect brush. Depending on number within and driving force, either individually propagating droplets or continuous flow state is obtained. We derive approximate scaling relations between volume NP cluster particles both states as well relation located surface layer function total particle number. These tested by simulations. Furthermore, conditions under which dynamic transition individual droplet takes place studied systematically corresponding phase diagram constructed. also observe strong hysteresis this variation force indicating barrier two stationary nonequilibrium states.