Revisiting the Dispersion Mechanism of Grafted Nanoparticles in Polymer Matrix: A Detailed Molecular Dynamics Simulation

Shen, Jianxiang; Li, Jun; Gao, Yangyang; Cao, Dapeng; Zhang, Liqun

doi:10.1021/la203182u

Cited by 55 publications

(50 citation statements)

References 72 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…This fact leads to the distribution of nanoparticle on the membrane surfaces. This steric interference among the attached and the approaching polymeric chains is also mentioned by Shen et al …”

Section: Resultssupporting

confidence: 62%

Selective water‐permeable channels induced by polystyrene brushes within hairy nanocellulose/cellulose acetate membrane

Lessan

Karimi

2017

Polymers for Advanced Techs

View full text Add to dashboard Cite

Hairy nanocellulose (NC) was prepared by in‐situ admicellar polymerization of styrene on NC surface in the presence of cetyltrimethylammonium bromide through a stepwise fashion. It was also tried to achieve three hairy NCs with different polystyrene (PS) brush contents (i.e. 40, 50, and 80%) through altering monomer initial concentration. Then, NC and three hairy NCs were separately added into cellulose acetate (CA) solutions to fabricate membranes via the phase inversion technique. Transmission electron microscope images show that NC and three hairy NCs are spherical‐shaped nanoparticles. Results of Fourier transform infrared spectra provide clear evidence of PS brush being attached to the NC surfaces. Thermal gravimetric analysis confirms that increasing styrene initial concentration leads to enhanced PS content of hairy NCs. Results also elucidate that dispersions of prepared hairy NCs are highly stable even at high loading levels. It was found that incorporation of 1 wt% hairy NC with optimum brush content of 50% within CA membranes results in the increasing membrane water permeability from 7 to 40 l/m2 hr with no change in its selectivity. Indeed, new interactions induced by PS brushes at hairy NC/CA interfaces result in the creation of connected channels at the interfaces which facilitate water transport through the membrane. This study provides insights into the key role that PS brushes play in overcoming the dispersion problems of NC in nonpolar media and offers guidelines to tailor channels within hairy NC/CA membrane for enhanced filtration performance. Copyright © 2017 John Wiley & Sons, Ltd.

show abstract

Section: Resultssupporting

confidence: 62%

Selective water‐permeable channels induced by polystyrene brushes within hairy nanocellulose/cellulose acetate membrane

Lessan

Karimi

2017

Polymers for Advanced Techs

View full text Add to dashboard Cite

show abstract

“…1e). This process made the exfoliated GO sheets were strongly combined by VPR chains, effectively preventing the aggregation of GO sheets20 and obtaining maximal amount of individual GO sheets in the GO/SBR composite, similar to those existed in the GO/VPR/SBR mixture.…”

Section: Resultsmentioning

confidence: 99%

High Performance Graphene Oxide Based Rubber Composites

Mao

Wen

Chen

et al. 2013

Sci Rep

Self Cite

151

View full text Add to dashboard Cite

In this paper, graphene oxide/styrene-butadiene rubber (GO/SBR) composites with complete exfoliation of GO sheets were prepared by aqueous-phase mixing of GO colloid with SBR latex and a small loading of butadiene-styrene-vinyl-pyridine rubber (VPR) latex, followed by their co-coagulation. During co-coagulation, VPR not only plays a key role in the prevention of aggregation of GO sheets but also acts as an interface-bridge between GO and SBR. The results demonstrated that the mechanical properties of the GO/SBR composite with 2.0 vol.% GO is comparable with those of the SBR composite reinforced with 13.1 vol.% of carbon black (CB), with a low mass density and a good gas barrier ability to boot. The present work also showed that GO-silica/SBR composite exhibited outstanding wear resistance and low-rolling resistance which make GO-silica/SBR very competitive for the green tire application, opening up enormous opportunities to prepare high performance rubber composites for future engineering applications.

show abstract

“…For instance the reproducible synthesis and functionalization of organic and inorganic nanoparticles provide an alternative class of materials usable as probes or drug carriers for biological systems 3,4 or as ingredients in polymeric nanocomposites intended to improve miscibility and more in general equilibrium and non-equilibrium properties in polymer melts and matrices. [5][6][7][8][9][10][11][12][13][14][15] ''Smart'' polymer brush nanoparticles can be made extremely responsive to various parameters such as pH value, temperature, magnetic fields etc. 16,17 Further applications are related to the similarity among nanoparticles with grafted flexible polymers and spherical micelles, 18,19 with the (insoluble) A-block of diblock polymer in a selective solvent forming a dense spherical core from which the B-blocks stick out.…”

Section: Introductionmentioning

confidence: 99%

Effect of the solvent quality on the structural rearrangement of spherical brushes: coarse-grained models

et al. 2012

View full text Add to dashboard Cite

A coarse-grained model for flexible polymers end-grafted to repulsive spherical nanoparticles is studied for various polymer lengths, grafting densities, and nanoparticle sizes by molecular dynamics simulations, considering variable solvent quality in the framework of an implicit solvent treatment. Below the theta point, the tuning of the temperature strongly influences the coverage of the nanoparticle surface by collapsed single chains or clusters of several chains. The shape and size of the aggregates depend on the number of monomers and surface density of the polymers. Specifically we analyzed the effect of the solvent quality on the density profiles and radius of gyration of the single molecule. The stretching of the chains parallel to the surface, required for the cluster formation, leads to a slightly non-monotonic temperature variation of the polymer linear dimensions at intermediate chain lengths. For theta conditions, however, the chains are still stretched in the radial direction. In particular for long chains a crossover to the star polymer limit occurs that is studied in detail with self-consistent field theory. At a theoretical level we extended our study exploring the case of a spherical brush embedded in a polymer melt. For different choices of the Flory-Huggins parameter between free and grafted chains, the amount of monomers of the free chains adsorbed on the nanoparticle surface is predicted via self-consistent field calculations.

show abstract

Revisiting the Dispersion Mechanism of Grafted Nanoparticles in Polymer Matrix: A Detailed Molecular Dynamics Simulation

Cited by 55 publications

References 72 publications

Selective water‐permeable channels induced by polystyrene brushes within hairy nanocellulose/cellulose acetate membrane

Selective water‐permeable channels induced by polystyrene brushes within hairy nanocellulose/cellulose acetate membrane

High Performance Graphene Oxide Based Rubber Composites

Effect of the solvent quality on the structural rearrangement of spherical brushes: coarse-grained models

Contact Info

Product

Resources

About