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.
Poghosyan
Armen H
AH
International Scientific-Education Center of National Academy of Sciences, M. Baghramyan ave. 24d, 0019 Yerevan, Armenia. sicnas@sci.am
Arsenyan
Levon H
LH
Gharabekyan
Hrant H
HH
Koetz
Joachim
J
Shahinyan
Aram A
AA
D003198:Computer Simulation; D004573:Electrolytes / Q000737:chemistry; D005233:Fatty Alcohols / Q000737:chemistry*; D011095:Polyethylenes / Q000737:chemistry*; D000644:Quaternary Ammonium Compounds / Q000737:chemistry*; D012967:Sodium Dodecyl Sulfate / Q000737:chemistry*; D013455:Sulfur / Q000737:chemistry; D014867:Water / Q000737:chemistry*
D004573:Electrolytes; D005233:Fatty Alcohols; D011095:Polyethylenes; D000644:Quaternary Ammonium Compounds; D014867:Water; C041004:poly-N,N-dimethyl-N,N-diallylammonium chloride; D012967:Sodium Dodecyl Sulfate; D013455:Sulfur; C029383:n-decyl alcohol