Modeling Local Oscillatory Shear Dynamics of Functionalized Polymer Grafted Nanoparticles

Kadre, D. and Iyer, B.V.S. (2021) Modeling Local Oscillatory Shear Dynamics of Functionalized Polymer Grafted Nanoparticles. Macromolecular Theory and Simulations, 30 (5). ISSN 10221344

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This study examines local oscillatory shear dynamics of spherical polymer grafted nanoparticles (PGNs) composed of a rigid nanoparticle core of fixed radius, (Formula presented.) nm, and coronas of varying number of grafted polymer arms, (Formula presented.). The grafted polymer arms are end-functionalized such that the interacting PGNs form labile bonds when their coronas overlap. The effect of PGN structure on local dynamics is examined by imposing controlled oscillatory displacement on simple systems constructed using three identical interacting PGNs with bonded interactions under mechanical equilibrium. The displacement-induced bond evolution between PGNs in this system is captured employing a master equation for determining probability of finding n bonds between PGNs as a function of oscillation frequency ((Formula presented.)). A multi-component model combined with master equation approach is employed for modeling the effect of varying number of grafted arms ((Formula presented.) and 1200) and strain amplitude ((Formula presented.)) on the local shear response of the PGN system. The resulting shear response is analyzed using both linear and non-linear rheological measures obtained using the Chebyshev polynomial framework. The rheological measures thus obtained are found to vary strongly with the number of grafted arms and strain amplitude. © 2021 Wiley-VCH GmbH

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IITH Creators:
IITH CreatorsORCiD
Iyer, Balaji V S
Item Type: Article
Uncontrolled Keywords: Chebyshev rheological measures, functionalized nanoparticles, local viscoelastic response, one-component hybrid brushes
Subjects: Chemical Engineering
Divisions: Department of Chemical Engineering
Depositing User: Mrs Haseena VKKM
Date Deposited: 12 Apr 2022 07:16
Last Modified: 12 Apr 2022 07:16
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