Ionic Surfactant Aggregates in Saline Solutions: Sodium Dodecyl Sulfate (SDS) in the Presence of Excess Sodium Chloride (NaCl) or Calcium Chloride (CaCl2)

被引：202
|
作者：
Sammalkorpi, Maria [1 ]
Karttunen, Mikko [2 ]
Haataja, Mikko [1 ]
机构：
[1] Princeton Univ, Dept Mech & Aerosp Engn, Princeton, NJ 08544 USA
[2] Univ Western Ontario, Dept Appl Math, London, ON N6A 5B7, Canada
来源：
JOURNAL OF PHYSICAL CHEMISTRY B | 2009年 / 113卷 / 17期
基金：
美国国家科学基金会; 加拿大自然科学与工程研究理事会;
关键词：
MOLECULAR-DYNAMICS SIMULATIONS; ANGLE NEUTRON-SCATTERING; RANGE ELECTROSTATIC INTERACTIONS; MONTE-CARLO-SIMULATION; AQUEOUS-SOLUTION; MICELLE FORMATION; DETERGENT CONCENTRATION; AMPHIPHILIC MOLECULES; STRUCTURAL-PROPERTIES; COMPUTER-SIMULATIONS;
D O I：
10.1021/jp901228v
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：
The properties of sodium dodecyl sulfate (SDS) aggregates in saline solutions of excess sodium chloride (NaCl) or calcium chloride (CaCl2) ions were studied through extensive molecular dynamics simulations with explicit solvent. We find that the ionic strength of the Solution affects not only the aggregate size of the resulting anionic micelles but also their structure. Specifically, the presence of CaCl2 induces more compact and densely packed micelles with a significant reduction in gauche defects in the SDS hydrocarbon chains in comparison with NaCl. Furthermore, we observe significantly more stable salt bridges between the charged SIDS head groups mediated by Ca2+ than Na+. The presence of these salt bridges helps stabilize the more densely packed micelles.
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页码：5863 / 5870
页数：8
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