Role of Water in the Formation of the Electric Double Layer of Micelles

被引：11

作者：

Brodskaya, Elena ^{[1
]}

机构：

[1] St Petersburg State Univ, Dept Chem, St Petersburg, Russia

来源：

JOURNAL OF PHYSICAL CHEMISTRY B | 2012年 / 116卷 / 19期

关键词：

MOLECULAR-DYNAMICS SIMULATIONS; SODIUM DODECYL-SULFATE; MONTE-CARLO; ION DISTRIBUTIONS; FREE-ENERGY; ELECTROLYTE; SOLVENT; CAPACITANCE; BEHAVIOR;

D O I：

10.1021/jp3024183

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 surface layer of a direct ionic micelle with explicit solvent was simulated by the molecular dynamics method. Local properties of the system were calculated in the spherical micellar cell. The results for the local electric potential show that the contribution of a polar solvent makes the potential short-ranged, in contrast to predictions of the Poisson-Boltzmann theory.

引用

页码：5795 / 5800

页数：6

共 52 条

[1]

Allen M. P., 1989, Computer Simulation of Liquids, DOI DOI 10.1007/BF00646086

[2] MOLECULAR-DYNAMICS WITH COUPLING TO AN EXTERNAL BATH [J].

BERENDSEN, HJC ;

POSTMA, JPM ;

VANGUNSTEREN, WF ;

DINOLA, A ;

HAAK, JR .

JOURNAL OF CHEMICAL PHYSICS, 1984, 81 (08) :3684-3690

[3] THE CYLINDRICAL ELECTRIC DOUBLE-LAYER IN THE MODIFIED POISSON-BOLTZMANN THEORY [J].

BHUIYAN, LB ;

OUTHWAITE, CW .

PHILOSOPHICAL MAGAZINE B-PHYSICS OF CONDENSED MATTER STATISTICAL MECHANICS ELECTRONIC OPTICAL AND MAGNETIC PROPERTIES, 1994, 69 (05) :1051-1058

[4] Low temperature anomalies in the properties of the electrochemical interface [J].

Boda, D ;

Henderson, D ;

Chan, KY ;

Wasan, DT .

CHEMICAL PHYSICS LETTERS, 1999, 308 (5-6) :473-478

[5] Monte Carlo study of the capacitance of the double layer in a model molten salt [J].

Boda, D ;

Henderson, D ;

Chan, KY .

JOURNAL OF CHEMICAL PHYSICS, 1999, 110 (11) :5346-5350

[6] The capacitance of the solvent primitive model double layer at low effective temperatures [J].

Boda, D ;

Henderson, D .

JOURNAL OF CHEMICAL PHYSICS, 2000, 112 (20) :8934-8938

[7] Monte Carlo and density functional theory study of the electrical double layer: The dependence of the charge/voltage relation on the diameter of the ions [J].

Boda, D ;

Henderson, D ;

Plaschko, P ;

Fawcett, WR .

MOLECULAR SIMULATION, 2004, 30 (2-3) :137-141

[8] Monte Carlo, density functional theory, and Poisson-Boltzmann theory study of the structure of an electrolyte near an electrode [J].

Boda, D ;

Fawcett, WR ;

Henderson, D ;

Sokolowski, S .

JOURNAL OF CHEMICAL PHYSICS, 2002, 116 (16) :7170-7176

[9] Computer simulations of micellar systems [J].

Brodskaya, E. N. .

COLLOID JOURNAL, 2012, 74 (02) :154-171

[10] COMPUTER-SIMULATION STUDY OF THE SURFACE POLARIZATION OF PURE POLAR LIQUIDS [J].

BRODSKAYA, EN ;

ZAKHAROV, VV .

JOURNAL OF CHEMICAL PHYSICS, 1995, 102 (11) :4595-4599

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