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Translocation of nanoparticles through a polymer brush-modified nanochannel
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10.1063/1.4732799
/content/aip/journal/bmf/6/3/10.1063/1.4732799
http://aip.metastore.ingenta.com/content/aip/journal/bmf/6/3/10.1063/1.4732799
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Figures

Image of FIG. 1.
FIG. 1.

Simulation snapshots from our MD simulations at . (a)–(d) corresponds to the system MM, MP, MS, and RP, respectively. Side cross-section views (left) and top views (middle and right) are provided for better visualization. Only the grafted chains and the wall of the channel are shown in the middle top views. The right top views only contain the nanoparticles and the wall. The arrow in (a) denotes the direction of external electric field. Color scheme: wall particles (gray), end grafting points (red), polymer brush (green), neutral (orange), and charged (blue) particles on nanoparticle surface, counterions (purple), and solvent particles (white).

Image of FIG. 2.
FIG. 2.

(a) Nanoparticle distribution function and (b) counterion distribution function for the systems MM, MP, MS, and RP at . The inset in (a) shows the average migration velocity.

Image of FIG. 3.
FIG. 3.

(a) Monomer density profiles for the systems MM, MP, MS, and RP. The inset shows the brush thickness. (b) A snapshot of the system MM. For clarity, only polymer chains and wall particles are shown. Simulation data are obtained at .

Image of FIG. 4.
FIG. 4.

(a) Nanoparticle distribution function and (b) counterion distribution function of the system RP for different grafting densities.

Image of FIG. 5.
FIG. 5.

Average migration velocity of nanoparticles for the system RP as a function of the grafting density.

Image of FIG. 6.
FIG. 6.

Monomer density profiles of the system RP for different grafting densities. The inset shows the brush thickness as a function of the grafting density.

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/content/aip/journal/bmf/6/3/10.1063/1.4732799
2012-07-13
2014-04-21
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Translocation of nanoparticles through a polymer brush-modified nanochannel
http://aip.metastore.ingenta.com/content/aip/journal/bmf/6/3/10.1063/1.4732799
10.1063/1.4732799
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