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Bae S, Galant O, Diesendruck CE, et al. Tailoring single chain polymer nanoparticle thermo-mechanical behavior by cross-link density. Soft Matter. 2017;13(15):2808-2816doi: 10.1039/c7sm00360a.
Bae, S., Galant, O., Diesendruck, C. E., & Silberstein, M. N. (2017). Tailoring single chain polymer nanoparticle thermo-mechanical behavior by cross-link density. Soft matter, 13(15), 2808-2816. https://doi.org/10.1039/c7sm00360a
Bae, Suwon, et al. "Tailoring single chain polymer nanoparticle thermo-mechanical behavior by cross-link density." Soft matter vol. 13,15 (2017): 2808-2816. doi: https://doi.org/10.1039/c7sm00360a
Bae S, Galant O, Diesendruck CE, Silberstein MN. Tailoring single chain polymer nanoparticle thermo-mechanical behavior by cross-link density. Soft Matter. 2017 Apr 12;13(15):2808-2816. doi: 10.1039/c7sm00360a. PMID: 28345097.
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Soft Matter. 2017 Apr 12;13(15):2808-2816. doi: 10.1039/c7sm00360a.

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

Soft matter

Suwon Bae, Or Galant, Charles E Diesendruck, Meredith N Silberstein

Affiliations

  1. Sibley School of Mechanical and Aerospace Engineering, Cornell University, NY14850, USA. [email protected].

PMID: 28345097 DOI: 10.1039/c7sm00360a

Abstract

Single chain polymer nanoparticles (SCPNs) are formed from intrachain cross-linking of a single polymer chain, making SCPN distinct from other polymer nanoparticles for which the shape is predefined before polymerization. The degree of cross-linking in large part determines the internal architecture of the SCPNs and therefore their mechanical and thermomechanical properties. Here, we use molecular dynamics (MD) simulations to study thermomechanical behavior of individual SCPNs with different underlying structures by varying the ratio of cross-linking and the degree of polymerization. We characterize the particles in terms of shape, structure, glass transition temperature, mobility, and stress response to compressive loading. 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.

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