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Dissipative particle dynamics simulation of depletion layer and polymer migration in micro- and nanochannels for dilute polymer solutions
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10.1063/1.2897761
/content/aip/journal/jcp/128/14/10.1063/1.2897761
http://aip.metastore.ingenta.com/content/aip/journal/jcp/128/14/10.1063/1.2897761

Figures

Image of FIG. 1.
FIG. 1.

The equilibrium boundary condition with shear procedure (EBC-S).

Image of FIG. 2.
FIG. 2.

Center-of-mass (left) and bead (right) distributions for three bead chains.

Image of FIG. 3.
FIG. 3.

Effect of the solvent quality on the center-of-mass (left) and bead (right) distributions for chains.

Image of FIG. 4.
FIG. 4.

Excess pressure across the channel for bead chain in solvents of different quality.

Image of FIG. 5.
FIG. 5.

Local radius of gyration (left) and relative shape of the polymer (right) for bead chain in solvents of different quality.

Image of FIG. 6.
FIG. 6.

Effect of wall-polymer-solvent interactions on the center-of-mass (left) and bead (right) distributions for a bead chain.

Image of FIG. 7.
FIG. 7.

Influence of gap size on the center-of-mass distribution for a chain of beads.

Image of FIG. 8.
FIG. 8.

Local radius of gyration (left) and relative shape (right) for a chain of beads for various gaps.

Image of FIG. 9.
FIG. 9.

Effect of bead number on the center-of-mass distribution in a slit of .

Image of FIG. 10.
FIG. 10.

Normalized center-of-mass distributions for different bead numbers compared with the analytical solution. The wall distance is normalized by the unconfined (left) and depletion layer thickness (right).

Image of FIG. 11.
FIG. 11.

Local radius of gyration (left) and relative shape (right) of the polymer for various .

Image of FIG. 12.
FIG. 12.

Poiseuille velocity profiles for several Pe’s, .

Image of FIG. 13.
FIG. 13.

Polymer center-of-mass (upper left) and conformation distributions of (upper right), (lower left), and (lower right) in Poiseuille flow, , .

Image of FIG. 14.
FIG. 14.

Polymer center-of-mass (upper left) and conformation distributions of (upper right), (lower left), and (lower right) in Poiseuille flow, , .

Image of FIG. 15.
FIG. 15.

Polymer center-of-mass (upper left) and conformation distributions of (upper right), (lower left), and (lower right) in Poiseuille flow, , .

Image of FIG. 16.
FIG. 16.

Polymer center-of-mass (upper left) and conformation distributions of (upper right), (lower left), and (lower right) in Poiseuille flow, , . Low Re number.

Image of FIG. 17.
FIG. 17.

Influence of solvent quality on center-of-mass distributions for , (left), and (right).

Tables

Generic image for table
Table I.

DPD simulation parameters.

Generic image for table
Table II.

Simulation parameter sets for different bead-spring models.

Generic image for table
Table III.

DPD parameter sets for solvent quality calculations.

Generic image for table
Table IV.

DPD parameter sets used in wall-polymer-solvent interaction calculations.

Generic image for table
Table V.

Simulation parameters for the channels of various gaps.

Generic image for table
Table VI.

DPD parameters used in bead number effect simulations.

Generic image for table
Table VII.

Simulation parameters used in polymer migration calculations.

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/content/aip/journal/jcp/128/14/10.1063/1.2897761
2008-04-14
2014-04-17
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Dissipative particle dynamics simulation of depletion layer and polymer migration in micro- and nanochannels for dilute polymer solutions
http://aip.metastore.ingenta.com/content/aip/journal/jcp/128/14/10.1063/1.2897761
10.1063/1.2897761
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