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.
Author details: | Armen H. PoghosyanORCiD, Levon H. Arsenyan, Hrant H. Gharabekyan, Joachim KoetzORCiDGND, Aram A. Shahinyan |
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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 |