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Molecular dynamics study of poly(diallyldimethylammonium chloride) (PDADMAC)/sodium dodecyl sulfate (SDS)/ decanol/water systems

  • 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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Author details:Armen H. PoghosyanORCiD, Levon H. Arsenyan, Hrant H. Gharabekyan, Joachim KoetzORCiDGND, Aram A. Shahinyan
URL:http://pubs.acs.org/journal/jpcbfk
DOI:https://doi.org/10.1021/Jp806289c
ISSN:1520-6106
Publication type:Article
Language:English
Year of first publication:2009
Publication year:2009
Release date:2017/03/25
Source:Journal of physical chemistry B. - ISSN 1520-6106. - 113 (2009), 5, S. 1303 - 1310
Organizational units:Mathematisch-Naturwissenschaftliche Fakultät / Institut für Chemie
Peer review:Referiert
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