+ Site Statistics
References:
54,258,434
Abstracts:
29,560,870
PMIDs:
28,072,757
+ Search Articles
+ Subscribe to Site Feeds
Most Shared
PDF Full Text
+ PDF Full Text
Request PDF Full Text
+ Follow Us
Follow on Facebook
Follow on Twitter
Follow on LinkedIn
+ Translate
+ Recently Requested

Polymer-grafted nanoparticles prepared via a grafting-from strategy: a computer simulation study



Polymer-grafted nanoparticles prepared via a grafting-from strategy: a computer simulation study



Physical Chemistry Chemical Physics 20(27): 18400-18409



Nanoparticles (NPs) grafted with polymer chains prepared via a grafting-from strategy are studied through coarse-grained molecular dynamics simulations combined with our stochastic reaction model. A system involving multiple individual NPs, with grafting-from processes for all the NPs induced simultaneously, is simulated, so that chain growth competition on the same NP, as well as between neighbouring NPs, are both naturally considered. Our results imply that there should be an optimized range of NP sizes, as compared to monomer size, in which initiator sites are most easily induced. Besides, when the initiator density is high, a shielding effect from the sparse long chains on the most short chains or initiators evidently yields an extremely unbiased distribution of chains. We also adopt a representative polymer-tethered NP prepared via a grafting-from strategy to study the potential of mean force between NPs, so that the dispersion and stabilization abilities of such polymer-grafted NPs in a polymer matrix can be generally predicted during the preparation of polymer nanocomposite materials. Our study helps to elucidate the cause of chain dispersity during the grafting-from process and could act as a guide for better design and to improve the performance of polymer nanocomposites.

(PDF emailed within 0-6 h: $19.90)

Accession: 065414312

Download citation: RISBibTeXText

PMID: 29946599

DOI: 10.1039/c8cp02905a


Related references

Computer simulation study on the self-assembly of unimodal and bimodal polymer-grafted nanoparticles in a polymer melt. Physical Chemistry Chemical Physics 19(25): 16524-16532, 2017

Polymer-grafted nanoparticles prepared by surface-initiated polymerization: the characterization of polymer chain conformation, grafting density and polydispersity correlated to the grafting surface curvature. Physical Chemistry Chemical Physics 15(37): 15356-15364, 2013

Interfacial and phase transfer behaviors of polymer brush grafted amphiphilic nanoparticles: a computer simulation study. Langmuir 30(19): 5599-5608, 2014

Monofunctional polymer nanoparticles prepared through intramolecularly cross-linking the polymer chains sparsely grafted on the surface of sacrificial silica spheres. Chemical Communications 51(10): 1842-1845, 2014

The selectivity of nanoparticles for polydispersed ligand chains during the grafting-to process: a computer simulation study. Physical Chemistry Chemical Physics 20(3): 2066-2074, 2018

Simulation of Interaction Forces between Nanoparticles:‚ÄČ End-Grafted Polymer Modifiers. Journal of Chemical Theory and Computation 2(6): 1624-1631, 2006

Examining the aggregation behavior of polymer grafted nanoparticles using molecular simulation and theory. Journal of Chemical Physics 143(5): 054904, 2015

Revisiting the dispersion mechanism of grafted nanoparticles in polymer matrix: a detailed molecular dynamics simulation. Langmuir 27(24): 15213-15222, 2011

Controlling the Location of Bare Nanoparticles in Polymer-Nanoparticle Blend Films by Adding Polymer-Grafted Nanoparticles. Physical Review Letters 114(25): 258301, 2015

A computer simulation of the networked structure of a hydrogel prepared from a tetra-armed star pre-polymer. Soft Matter 10(20): 3553-3559, 2015

Effect of bidispersity in grafted chain length on grafted chain conformations and potential of mean force between polymer grafted nanoparticles in a homopolymer matrix. Journal of Chemical Physics 134(19): 194906, 2011

Study of polymer electrolytes with grafted Au-Fe2O3 nanoparticles. International Journal of Hydrogen Energy 39(6): 2909-2916, 2014

A study on the morphology of polystyrene-grafted poly(ethylene-alt-tetrafluoroethylene) (ETFE) films prepared using a simultaneous radiation grafting method. Radiation Physics and Chemistry 97: 374-380, 2014

Into the polymer brush regime through the "grafting-to" method: densely polymer-grafted rodlike viruses with an unusual nematic liquid crystal behavior. Soft Matter 12(3): 798-805, 2016

Properties of grafted amphiphilic chains. A computer simulation study. Journal of Chemical Information and Computer Sciences 44(2): 387-392, 2004