Silica Nanoparticles Simulation with Polyisoprene Polymer Chains: A Comparative Study.
Augusta Igbudugbu
Department of Chemical and Bimolecular Engineering, University of Tennessee
This page shows the visualization of silica nanoparticles simulation with polyisoprene polymer chains.
Silica has proven to be an eco-friendly substitute for carbon black as fillers. The surface area, shape, surface chemistry and size of the fillers could affect how well they interact with the polymer matrix in the composite. Using classical molecular dynamics, this study aims to compare the atomistic interactions of the polyisoprene(PI) polymer chains with amorphous silica nanoparticles and silica slab as used in the reference.1
Interactive Structures
Color Legend:
- pink = polyisoprene polymer chains
- tan = Si (silicon)
- white = OH (hydroxyl group)
References
1. Li, W., Bacova, P., Behbahani, A.F., Burkhart, C., Polinska, P., Harmandaris, V.A. and Doxastakis, M., 2021. Tailoring Interfacial Properties in Polymer-Silica Nanocomposites via Surface Modification: An Atomistic Simulation Study. ACS Applied Polymer Materials 2021 3 (5), 2576-2587. doi: 10.1021/acsapm.1c00197
posted: May 2024.
updated: May 2024.