Journal
MACROMOLECULAR THEORY AND SIMULATIONS
Volume 21, Issue 5, Pages 328-339Publisher
WILEY-V C H VERLAG GMBH
DOI: 10.1002/mats.201100097
Keywords
interpolymer complexes; ladder and scrambled-egg structures; microstructures; Monte Carlo simulations
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Funding
- Ministry of Science and Education of Russian Federation
- Program of Chemistry and Material Science Department of Russian Academy of Sciences Creation and Study of Macromolecules and Macromolecular Structures of New Generations
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Monte Carlo simulations are employed in order to analyze the structure of polyelectrolyte complexes consisting of two identical but oppositely charged macroions with varying chain stiffness. It is shown that two complex structures can arise depending on the stiffness of the constituent chains. Stiff chains are organized into a ladder structure in which chains are located parallel to each other and monomeric units are arranged into ionic pairs according to their position in the chain. Flexible chains form a globular scrambled-egg structure with a disordered position of monomer units. The conformational transition between the two structures proceeds as a phase transition.
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