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Primitive chain network simulations for entangled DNA solutions
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10.1063/1.3225994
/content/aip/journal/jcp/131/11/10.1063/1.3225994
http://aip.metastore.ingenta.com/content/aip/journal/jcp/131/11/10.1063/1.3225994

Figures

Image of FIG. 1.
FIG. 1.

Schematic representation of the procedure to obtain the measure. (a) A typical snapshot for the system with . A chain close to the center of the simulation box is highlighted, while thin lines show the segments of the other chains. (b) 2D projection of the highlighted 3D chain. (c) Intensity matrix obtained from the 2D projection.

Image of FIG. 2.
FIG. 2.

Linear viscoelasticity of DNA solutions at four concentrations. Filled and unfilled circles are data from Ref. 12, while solid and broken curves are simulation results for and , respectively.

Image of FIG. 3.
FIG. 3.

Viscosity growth curves of DNA solutions at three concentrations. Symbols are data from Ref. 12 at the indicated shear rates, and curves are the corresponding simulation results.

Image of FIG. 4.
FIG. 4.

Steady shear stress as a function of shear rate for the solution. Symbols are data from Ref. 12. Solid and broken curves are predictions of our model and of the ROLIE-POLY model, respectively.

Image of FIG. 5.
FIG. 5.

Equilibrium distribution of the molecular extension for the DNA solution. Histogram is obtained from the fluctuations appearing in Fig. 9A of Ref. 12. Solid and broken curves are from primitive chain, and unentangled Gaussian chain simulations, respectively.

Image of FIG. 6.
FIG. 6.

Average value of at steady state as a function of shear rate for the solution. Symbols are data from Fig. 15B of Ref. 12. Curves are simulation results for various Kuhn step lengths: , 100, 65, 50, and 30 nm, from top to bottom.

Image of FIG. 7.
FIG. 7.

Distribution of for the solution in steady shear at (a) and (b) . Histograms are data from Ref. 12. Dashed, solid, and dotted curves are simulation results for , 65, and 130 nm, respectively.

Image of FIG. 8.
FIG. 8.

Distribution of for several concentrations (one per row) at various shear rates (one per column). Histograms are from Ref. 12. Curves are simulation results over samples of 10 000 chains. In (a) was used; in (b) Kuhn length is 130 nm.

Image of FIG. 9.
FIG. 9.

Transient response of (a) viscosity and (b) average molecular extension in startup of shear flow for the solution at the indicated shear rates. Symbols are data from Ref. 12 at (circle) and (triangle). Curves are simulation results with .

Image of FIG. 10.
FIG. 10.

Transient response of the average molecular extension in startup of shear flows for the solution. (a) Curves are simulation results for (dotted curve), (hatched curve), and (solid curve); symbols are data at from Ref. 12. (b) Same as in (a), normalized to the difference between steady and equilibrium values (denoted by and ).

Tables

Generic image for table
Table I.

Parameters used for simulations.

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/content/aip/journal/jcp/131/11/10.1063/1.3225994
2009-09-21
2014-04-25
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Primitive chain network simulations for entangled DNA solutions
http://aip.metastore.ingenta.com/content/aip/journal/jcp/131/11/10.1063/1.3225994
10.1063/1.3225994
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