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Mesoscale hydrodynamic simulation of short polyelectrolytes in electric fields
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10.1063/1.3274681
/content/aip/journal/jcp/131/23/10.1063/1.3274681
http://aip.metastore.ingenta.com/content/aip/journal/jcp/131/23/10.1063/1.3274681
View: Figures

Figures

Image of FIG. 1.
FIG. 1.

Mean square radii of gyration as function of the monomer number for the Coulomb interaction strengths (red), 1.9 (green), 5.7 (blue), and 9.5 (magenta). The data points for and 9.5 are shifted to the right by the factors 1.5 and 2, respectively. The solid lines are fits to the data points, which yield the dependencies , with (top to bottom).

Image of FIG. 2.
FIG. 2.

Scaled number of condensed counterions of polyelectrolyte chains as function of the monomer number for the Coulomb interaction strengths , 5.7, and 9.5 (bottom to top).

Image of FIG. 3.
FIG. 3.

Electrophoretic mobilities of polyelectrolyte chains as function of the monomer number and Coulomb interaction strengths , 1.9, 5.7, and 9.5 (top to bottom).

Image of FIG. 4.
FIG. 4.

Electrophoretic mobilities of polyelectrolyte chains (squares), condensed (triangles), and uncondensed (bullets) counterions as function of the monomer number for the Coulomb interaction strengths (a) , (b) 1.9, (c) 5.7, and (d) 9.5.

Image of FIG. 5.
FIG. 5.

Electrophoretic mobilities of polyelectrolyte chains as function of the monomer number for with (red squares) and without (magenta squares) hydrodynamic interactions. (Lines are guides for the eye only.) The light blue squares correspond to the dependence . Blue and green squares indicate experimental results on PSS obtained by capillary electrophoresis (Ref. 16) and NMR (Refs. 18 and 22), respectively.

Image of FIG. 6.
FIG. 6.

Diffusion coefficients as function of monomer number for the Coulomb interaction strengths (red), 1.9 (green), 5.7 (blue), 9.5 (magenta). The lines for and are calculated according to Eqs. (8) and (9), respectively (see Ref. 23). The lines for are power-law fits which exhibit the scaling behavior and , respectively.

Image of FIG. 7.
FIG. 7.

Dipole moment of a polyelectrolyte as function of the monomer number for the Coulomb interaction strengths 1.9 (green), 5.7 (blue), and 9.5 (magenta).

Image of FIG. 8.
FIG. 8.

Counterion distributions as function of the distance from the center-of-mass of a polyelectrolyte chain along the direction of the electric field. The Coulomb interaction strengths are (a) , (b) 5.7, and (c) 9.5. Within each plot, results are shown for the chain lengths (red), 10 (green), 20 (blue), 30 (magenta), and 40 (light blue).

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/content/aip/journal/jcp/131/23/10.1063/1.3274681
2009-12-18
2014-04-18
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Mesoscale hydrodynamic simulation of short polyelectrolytes in electric fields
http://aip.metastore.ingenta.com/content/aip/journal/jcp/131/23/10.1063/1.3274681
10.1063/1.3274681
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