Molecular Dynamics Study of Poly(diallyldimethylammonium chloride) (PDADMAC)/Sodium Dodecyl Sulfate (SDS)/Decanol/Water Systems

被引：34

作者：

Poghosyan, Armen H. ^{[1
]}

Arsenyan, Levon H. ^{[2
]}

Gharabekyan, Hrant H. ^{[1
]}

Koetz, Joachim ^{[3
]}

Shahinyan, Aram A. ^{[2
]}

机构：

[1] Natl Acad Sci, Int Sci Educ Ctr, Yerevan 0019, Armenia

[2] Natl Acad Sci, Inst Appl Problems Phys, Yerevan 0019, Armenia

[3] Univ Potsdam, Inst Chem, D-14476 Potsdam, Golm, Germany

来源：

JOURNAL OF PHYSICAL CHEMISTRY B | 2009年 / 113卷 / 05期

关键词：

INDUCED STRUCTURAL-CHANGES; CATIONIC POLYELECTROLYTES; LAMELLAR PHASE; POLYMER; SIMULATION; MEMBRANES; BILAYER;

D O I：

10.1021/jp806289c

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

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.

引用

页码：1303 / 1310

页数：8

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