Two‐Regime Conformation of Grafted Polymer on Nanoparticle Determines Symmetry of Nanoparticle Self‐Assembly

Author:

Yu Ji Woong1ORCID,Yun Hongseok2,Lee Won Bo34,Kim YongJoo5ORCID

Affiliation:

1. Center for AI and Natural Sciences Korea Institute for Advanced Study Seoul 02455 Republic of Korea

2. Department of Chemistry and Research Institute for Convergence of Basic Science Hanyang University Seoul 04763 Republic of Korea

3. School of Chemical and Biological Engineering Institute of Chemical Processes Seoul National University Seoul 08826 South Korea

4. School of Transdisciplinary Innovations Seoul National University Seoul 08826 Republic of Korea

5. Department of Materials Science and Engineering Korea University Seoul 02841 Republic of Korea

Abstract

AbstractOne of the key design factors that regulate the properties of grafted nanoparticles (GNPs) and their self‐assembly is the conformation of the grafted polymer. On the curved surface of the GNP core, the conformation of the polymer chain is not uniform in the radial direction. The segment is a non‐Gaussian chain in the concentrated polymer brush (CPB) regime near the interface between GNP core and grafted polymer, while it is less constrained in the semidilute polymer brush (SDPB) regime near the surface of GNP. Here, the property of polymer conformation showing crossover behavior at the CPB/SDPB threshold through the coarse‐grain molecular dynamics simulation of nanoparticles with explicit grafted chains is explored. Moreover, the self‐assembly structure depends on the effective softness, which is defined as a function of the threshold of two regimes estimated from the conformation of the polymer.

Funder

National Research Foundation of Korea

Hanyang University

Publisher

Wiley

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