Tailoring single chain polymer nanoparticle thermo-mechanical behavior by cross-link density

Abstract

Molecular dynamics (MD) simulations are used to study thermomechanical behavior of individual single chain polymer nanoparticles (SCPNs) with different underlying structures by varying the ratio of cross-linking and the degree of polymerization. The results indicate that the constituent monomers of SCPNs become less mobile as the degree of cross-linking is increased, corresponding to lower diffusivity and higher stress at a given temperature.

Suwon Bae

Principal Investigator