abstract

• Brownian dynamics simulations were performed to study the structure of polyelectrolyte complexes formed by two flexible, oppositely charged polyelectrolyte chains. The distribution of monomers in the complex as well as the radius of gyration and structure factor of complexes and individual polyelectrolytes are reported. These structural properties were calculated for polyelectrolyte chains with equal number of monomers, keeping constant the bond length of the negative chain and increasing the bond length of the positive chain. This introduces an asymmetry in the length of the chains that modulates the final structure of the complexes. In the symmetric case the distribution of positive and negative monomers in the complex are identical, producing clusters that are locally and globally neutral. Deviations from the symmetric case lead to nonuniform, asymmetric monomer distributions, producing net charge oscillations inside the complex and large changes in the radius of gyration of the complex and individual chains. From the radius of gyration of the polyelectrolyte chains it is shown that the positive chain is much more folded than the negative chain when the chains are asymmetric, which is also confirmed through the scaling behavior of the structure factors. © 2007 American Institute of Physics.

authors

• Chávez Páez Martín
• Menchaca J.-L.
• Trejo-Ramos M.A.
• Tristan F.
• Ṕrez E.

publication date

• 2007-01-01

funding provided via

• Consejo Nacional de Ciencia y Tecnología, CONACYT: J37530E, SEP-2004-C01-45951, U47611-F  Grant

published in

• Journal of Chemical Physics  Journal

keywords

• Brownian movement; Chemical bonds; Complexation; Computer simulation; Monomers; Oscillations; Bond length asymmetry; Brownian dynamics simulation; Oppositely charged polyelectrolyte chains; Polyelectrolyte complexes; Polyelectrolytes

Digital Object Identifier (DOI)

• 10.1063/1.2424986

start page

end page

volume

• 126

issue

• 1