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

被引：203

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.

引用

页码：5863 / 5870

页数：8

共 95 条

[81] Effect of counterion binding on micellar solution behavior: 1. Molecular-thermodynamic theory of micellization of ionic surfactants [J].

Srinivasan, V ;

Blankschtein, D .

LANGMUIR, 2003, 19 (23) :9932-9945

[82] Complementary use of simulations and molecular-thermodynamic theory to model micellization [J].

Stephenson, BC ;

Beers, K ;

Blankschtein, D .

LANGMUIR, 2006, 22 (04) :1500-1513

[83] Effect of the nature of the counterion on the properties of anionic surfactants. 5. Self-association behavior and micellar properties of ammonium dodecyl sulfate [J].

Tcacenco, CM ;

Zana, R ;

Bales, BL .

JOURNAL OF PHYSICAL CHEMISTRY B, 2005, 109 (33) :15997-16004

[84]

TIELEMAN DP, 2000, J PHYS CHEM B, P104

[85] Multifunctional nanocarriers [J].

Torchilin, Vladimir P. .

ADVANCED DRUG DELIVERY REVIEWS, 2006, 58 (14) :1532-1555

[86] GROMACS: Fast, flexible, and free [J].

Van der Spoel, D ;

Lindahl, E ;

Hess, B ;

Groenhof, G ;

Mark, AE ;

Berendsen, HJC .

JOURNAL OF COMPUTATIONAL CHEMISTRY, 2005, 26 (16) :1701-1718

[87] Fluorescence study on the size and shape of sodium dodecyl sulphate-aluminium salt micelles [J].

Vasilescu, M ;

Angelescu, D ;

Caldararu, H ;

Almgren, M ;

Khan, A .

COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS, 2004, 235 (1-3) :57-64

[88] Self-assembly at all scales [J].

Whitesides, GM ;

Grzybowski, B .

SCIENCE, 2002, 295 (5564) :2418-2421

[89] INTERNAL STRUCTURE OF A MODEL MICELLE VIA COMPUTER-SIMULATION .2. SPHERICALLY CONFINED AGGREGATES WITH MOBILE HEAD GROUPS [J].

WOODS, MC ;

HAILE, JM ;

OCONNELL, JP .

JOURNAL OF PHYSICAL CHEMISTRY, 1986, 90 (09) :1875-1885

[90] Molecular dynamics simulations of mixed cationic/anionic wormlike micelles [J].

Yakovlev, Dmitry S. ;

Boek, Edo S. .

LANGMUIR, 2007, 23 (12) :6588-6597

← 1 2 3 4 5 6 7 8 9 10 →