1887
banner image
No data available.
Please log in to see this content.
You have no subscription access to this content.
No metrics data to plot.
The attempt to load metrics for this article has failed.
The attempt to plot a graph for these metrics has failed.
Simulation of nonlinear shear rheology of dilute salt-free polyelectrolyte solutions
Rent:
Rent this article for
USD
10.1063/1.2712182
/content/aip/journal/jcp/126/12/10.1063/1.2712182
http://aip.metastore.ingenta.com/content/aip/journal/jcp/126/12/10.1063/1.2712182

Figures

Image of FIG. 1.
FIG. 1.

Mean square radius of gyration of the polyion chain, , plotted as a function of for various molecular weight polyelectrolytes at . Contour lengths of the chains in increasing order are , , and .

Image of FIG. 2.
FIG. 2.

Equilibrated 40-bead chains in three electrostatic regimes: the neutral case , the peak extension case , and the condensed ion case . Chain beads are shown as dark spheres, and counterions as light spheres.

Image of FIG. 3.
FIG. 3.

Polyelectrolyte chain-chain pair distribution function, , in solution at equilibrium.

Image of FIG. 4.
FIG. 4.

Chain radius of gyration plotted as a function of for 10-bead chains at various concentrations.

Image of FIG. 5.
FIG. 5.

Effects of on the size of the ion cloud at equilibrium, as determined by the calculation of . Systems shown at .

Image of FIG. 6.
FIG. 6.

Size of the counterion cloud surrounding a chain as a function of for a 10-bead chain at various concentrations.

Image of FIG. 7.
FIG. 7.

Density of the counterion cloud surrounding a chain as a function of for a 10-bead chain at various concentrations.

Image of FIG. 8.
FIG. 8.

Degree of ionization as a function of . Also shown is the prediction from the Manning theory.

Image of FIG. 9.
FIG. 9.

Comparison of reduced viscosity results as a function of for 10-bead systems both with and without hydrodynamic interactions at .

Image of FIG. 10.
FIG. 10.

(a) Average chain stretch and (b) reduced viscosity for 10-bead chains at as a function of for various values of Pe.

Image of FIG. 11.
FIG. 11.

(a) Average chain stretch and (b) reduced viscosity for 20-bead chains at as a function of for various values of Pe.

Image of FIG. 12.
FIG. 12.

Component contributions to the overall reduced viscosity of the system as a function of for systems at and . Component contributions are described with subscripts according to the types of particles involved (BB for bead-bead interactions, BI for bead-ion interactions, and II for ion-ion interactions) and with superscripts for the type of interactions involved (EXV for excluded volume and EL for electrostatic).

Image of FIG. 13.
FIG. 13.

Contributions to the overall reduced viscosity of the system as a function of for systems at and and 0.1. Contributions are described with subscripts according to the types of particles involved (BB for bead-bead interactions, BI for bead-ion interactions, and II for ion-ion interactions).

Image of FIG. 14.
FIG. 14.

Histogram of counterion density surrounding an individual chain in dilute solution for various values of Pe at and . Shown is the profile with data averaged through the direction; is the flow direction, while is the gradient direction. In panels (c) and (d) the solid black line shows the average chain stretch and orientation in flow. Scales reflect the concentration of ions relative to the overall system concentration, i.e., .

Image of FIG. 15.
FIG. 15.

Histogram of counterion density surrounding an individual chain in dilute solution for various values of Pe at and . Shown is the profile with data averaged through the direction; is the flow direction, while is the gradient direction. In panels (c) and (d) the solid black line shows the average chain stretch and orientation in flow. Scales reflect the concentration of ions relative to the overall system concentration, i.e., .

Image of FIG. 16.
FIG. 16.

(a) Cooperative and (b) competitive arrangements of a counterion and the chain center of mass with regard to the attractive electrostatic interactions. For repulsive interactions (e.g., excluded volume), the cooperative and competitive labels are reversed.

Image of FIG. 17.
FIG. 17.

Rheological behavior of 10-bead polyelectrolyte chains plotted as a function of for various concentrations at . (a) depicts the flow direction chain stretch , while (b) shows the reduced viscosity .

Image of FIG. 18.
FIG. 18.

Contributions to the overall reduced viscosity of the system as a function of concentration for a system with and . Contributions are denoted with subscripts according to the types of particles involved (BB for bead-bead interactions, BI for bead-ion interactions, and II for ion-ion interactions) and with superscripts for the type of interactions involved (EXV for excluded volume and EL for electrostatic).

Image of FIG. 19.
FIG. 19.

Histogram of counterion density surrounding an individual chain in dilute solution for and at various values of . Shown is the profile with data averaged through the direction; is the flow direction, while is the gradient direction. The average chain stretch and orientation in flow are given by the solid black line in panels (a) and (b) and by the white line in panels (c) and (d). Scales reflect the concentration of ions relative to the overall system concentration, i.e., .

Image of FIG. 20.
FIG. 20.

Universal plot of the reduced viscosity as a function of for systems at various concentrations and values of Pe.

Tables

Generic image for table
Table I.

Radius of gyration and overlap concentration for chains of varying molecular weight at infinite dilution.

Loading

Article metrics loading...

/content/aip/journal/jcp/126/12/10.1063/1.2712182
2007-03-26
2014-04-23
Loading

Full text loading...

This is a required field
Please enter a valid email address
752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Simulation of nonlinear shear rheology of dilute salt-free polyelectrolyte solutions
http://aip.metastore.ingenta.com/content/aip/journal/jcp/126/12/10.1063/1.2712182
10.1063/1.2712182
SEARCH_EXPAND_ITEM