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Brownian dynamics simulations of polyelectrolyte molecules traveling through an entropic trap array during electrophoresis
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10.1063/1.2777157
/content/aip/journal/jcp/127/12/10.1063/1.2777157
http://aip.metastore.ingenta.com/content/aip/journal/jcp/127/12/10.1063/1.2777157
View: Figures

Figures

Image of FIG. 1.
FIG. 1.

Two-dimensional ( plane) view of the microchannel utilized in our simulations. Microchannel extends infinitely into the direction.

Image of FIG. 2.
FIG. 2.

Sample trajectories of the leading bead position along the flow direction for a linear bead-spring chain with 20 segments of length exposed to an electrical field of strength . A dashed line at in each figure represents the constriction.

Image of FIG. 3.
FIG. 3.

Time scales involved during electrophoretic motion through the entropic trap as a function of contour length (molecular weight) for linear bead-rod and bead-spring molecules. Spring segment length is for all cases. The electrical field applied is . (a) Approach time, (b) activation time, (c) cross time, and (d) total time.

Image of FIG. 4.
FIG. 4.

Distribution of the leading bead position along the flow direction during the trapping event. The solid straight line represents the data fit obtained by utilizing Eq. (2.7).

Image of FIG. 5.
FIG. 5.

Comparison between linear bead-rod and bead-spring systems: electrophoretic mobility as a function of contour length (molecular weight). Spring segment length is for all cases. The electrical field applied is .

Image of FIG. 6.
FIG. 6.

Time scales involved during electrophoretic motion through the entropic trap as a function of contour length (molecular weight) for linear bead-rod and bead-spring molecules. The spring force utilized is Hookean (Rouse chains). The electrical field applied is . (a) Approach time, (b) activation time, (c) cross time, and (d) total time.

Image of FIG. 7.
FIG. 7.

Time scales involved during electrophoretic motion through the entropic trap as a function of spring constant for a 200 segment Rouse chain. The dashed line indicates the bead-rod prediction for a 200 segment Kramers chain. The electrical field applied is . (a) Approach time, (b) activation time, (c) cross time, and (d) total time.

Image of FIG. 8.
FIG. 8.

Effect of internal modes on migration mode times for a linear chain with a constant total contour length corresponding to a 200 segment Kramers chain. The dashed line indicates the bead-rod prediction for a 200 segment Kramers chain. (a) Approach time, (b) activation time, (c) cross time, and (d) total time.

Image of FIG. 9.
FIG. 9.

Effect of applied electrical field on migration mode times for a 40 segment linear wormlike chain with spring length of corresponding to a 200 segment Kramers chain. The square symbol represents values obtained from Kramers chain simulations by Panwar and Kumar. (a) Approach time, (b) activation time, (c) cross time, and (d) total time.

Image of FIG. 10.
FIG. 10.

Time scales involved during electrophoretic motion through the entropic trap as a function of molecular weight for linear and star molecules. Spring segment length is for all cases. The electrical field applied is . (a) Approach time, (b) activation time, (c) cross time, and (d) total time.

Image of FIG. 11.
FIG. 11.

Comparison between linear and star-branched systems: electrophoretic mobility as a function of contour length (molecular weight). Spring segment length is for all cases. The electrical field applied is .

Image of FIG. 12.
FIG. 12.

Radius of gyration as a function of molecular weight for linear and star-branched molecules. Spring segment length is for all cases. The electrical field applied is .

Image of FIG. 13.
FIG. 13.

Sample polymer conformation for a 20 segment linear chain (dashed line) and a 20 segment star containing 20 arms (solid line). In order to obtain smooth curves a moving average scheme was applied. The electrical field applied is . (a) component of the square radius of gyration, (b) component of the square radius of gyration, (c) component of the square radius of gyration, and (d) the square radius of gyration.

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/content/aip/journal/jcp/127/12/10.1063/1.2777157
2007-09-24
2014-04-24
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Brownian dynamics simulations of polyelectrolyte molecules traveling through an entropic trap array during electrophoresis
http://aip.metastore.ingenta.com/content/aip/journal/jcp/127/12/10.1063/1.2777157
10.1063/1.2777157
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