Computer simulations of polyelectrolyte stars and brushes
نویسندگان
چکیده
We briefly review results pertaining to the conformations, interactions and phase behavior of two related soft matter systems: star-branched polyelectrolytes and spherical polyelectrolyte brushes. Moreover, we present new results on the complexation of stars with oppositely charged, spherical, hard colloids, demonstrating the versatility of these systems to form novel complexes that result in a variety of patchy colloids, whose morphology can be affected by small amounts of added salt. Finally, we demonstrate that spherical polyelectrolyte brushes with low grafting density have distinct characteristics from dense brushes as regards the condensation of counterions. Here, condensation of counterions takes place along the rods and the brush conformation seems to be much more robust to added salt than that of star polyelectrolytes. (Some figures in this article are in colour only in the electronic version)
منابع مشابه
Interactions between planar polyelectrolyte brushes: effects of stiffness and salt
We perform molecular dynamics simulations and develop a theoretical approach based on the twodimensional cylindrical cell model to investigate the salt-dependent interactions between two sparselygrafted, rigid polyelectrolyte brushes. Extending our previous study, (A. Wynveen and C. N. Likos, Phys. Rev. E: Stat., Nonlinear, Soft Matter Phys., 2009, 80, 010801), we find that the repulsive force ...
متن کاملStatic and dynamic responses of polyelectrolyte brushes under external electric field.
The static and dynamic behaviors of partially charged and end-grafted polyelectrolyte brushes in response to electric fields were investigated by means of molecular dynamics simulation. The results show that the polymer brushes can be partially or fully stretched by applying an external electric field. Moreover, the brushes can switch reversibly from collapsed to stretched states, fully respond...
متن کاملPolyelectrolyte brushes in external fields: molecular dynamics simulations and mean-field theory.
A mean-field model is developed to predict the layer-thickness of sparse and salt-free polyelectrolyte brushes, exposed to an external electric field, which attracts the polyelectrolytes to the substrate. In molecular dynamics simulations, it is shown that a fraction of polymers collapses entirely to screen the charge of the substrate. The remaining brushes are then treated as field-free brushe...
متن کاملOn the monomer density of grafted polyelectrolyte brushes and their interactions.
Most of the modern theories of grafted polyelectrolyte brushes are valid only for moderate stretching of the polyelectrolyte. However, particularly at low ionic strength and high grafting densities, even a moderate charge of the polyelectrolyte can generate a strong stretching. A simple mean field model for strongly stretched grafted polyelectrolyte brushes is suggested, based on an approximate...
متن کاملMultivalent ions induce lateral structural inhomogeneities in polyelectrolyte brushes
Subtle details about a polyelectrolyte's surrounding environment can dictate its structural features and potential applications. Atomic force microscopy (AFM), surface forces apparatus (SFA) measurements, and coarse-grained molecular dynamics simulations are combined to study the structure of planar polyelectrolyte brushes [poly(styrenesulfonate), PSS] in a variety of solvent conditions. More s...
متن کامل