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Updated: Jun 26, 2026

Assembly and Characterization of Polyelectrolyte Complex Micelles
Published on: March 2, 2020
Molecular dynamics study of poly(diallyldimethylammonium chloride) (PDADMAC)/sodium dodecyl sulfate
Armen H Poghosyan1, Levon H Arsenyan, Hrant H Gharabekyan
1International Scientific-Education Center of National Academy of Sciences, M. Baghramyan ave. 24d, 0019 Yerevan, Armenia. sicnas@sci.am
Abstract:
We have performed a 50 ns of molecular dynamics study of poly(diallyldimethylammonium chloride) (PDADMAC)/sodium dodecyl sulfate (SDS)/decanol/water systems. The influence of the cationic polyelectrolyte on the anionic SDS-based lamellar liquid crystalline system was investigated. The main structural parameters have been calculated and compared with experimental data. We obtain two types of PDADMAC conformation, a more folded structure A and a structure B where the PDADMAC molecule is adsorbed at the anionic head groups of the surfactant molecules. The polyelectrolyte-induced coexistence of two lamellar phases at a concentration of 2-3% of PDADMAC is observed, which is in agreement with experimental findings.
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