Effect of Ion Dispersion Forces on the Electric Double Layer of Colloids: A Monte Carlo Simulation Study

被引:27
作者
Martin-Molina, Alberto [2 ]
Ibarra-Armenta, Jose G. [1 ]
Quesada-Perez, Manuel [1 ]
机构
[1] Univ Jaen, Dept Fis, Escuela Politecn Super Linares, Jaen 23700, Spain
[2] Univ Granada, Fac Ciencias, Dept Fis Aplicada, Grp Fis Fluidos & Biocoloides, E-18071 Granada, Spain
关键词
DENSITY-FUNCTIONAL THEORY; POISSON-BOLTZMANN THEORY; ELECTROLYTE-SOLUTIONS; MULTIVALENT COUNTERIONS; PRIMITIVE MODEL; MEAN FORCE; SALT; SURFACE; PROTEIN; POLYELECTROLYTES;
D O I
10.1021/jp8019792
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
In this work, the effect of ionic dispersion forces on the electric double layer of colloids is evaluated through Monte Carlo simulations. Particularly, the influence of these forces on the zeta-potential (as a representative electrokinetic property) is assessed. Ion polarizability is included in the primitive model with the help of the Lifshitz theory. In this way, ion specificity is not considered by means of phenomenological (and unknown a priori) parameters. Our results reveal that the ionic van der Waals forces are responsible (to some extent) for the specificity of the zeta-potential. In any case, the specific ion effects due to ion polarizability are strongly influenced by ion size. Furthermore, a preliminary study on the effect of ionic dehydration shows how this phenomenon improves the qualitative agreement between experimental data and simulations achieved in considering ionic dispersion forces.
引用
收藏
页码:2414 / 2421
页数:8
相关论文
共 56 条
[1]  
[Anonymous], 1992, INTERMOLECULAR SURFA
[2]  
[Anonymous], 1988, Zeta Potential in Colloid Science: Principles and Applications
[3]   Monte Carlo simulation study of a system with a dielectric boundary: Application to calcium channel selectivity [J].
Boda, D ;
Varga, T ;
Henderson, D ;
Busath, DD ;
Nonner, W ;
Gillespie, D ;
Eisenberg, B .
MOLECULAR SIMULATION, 2004, 30 (2-3) :89-96
[4]   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
[5]   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
[6]   Combined effect of pore radius and protein dielectric coefficient on the selectivity of a calcium channel [J].
Boda, Dezso ;
Valisko, Monika ;
Eisenberg, Bob ;
Nonner, Wolfgang ;
Henderson, Douglas ;
Gillespie, Dirk .
PHYSICAL REVIEW LETTERS, 2007, 98 (16)
[7]   Ion specificity of micelles explained by ionic dispersion forces [J].
Boström, M ;
Williams, DRM ;
Ninham, BW .
LANGMUIR, 2002, 18 (16) :6010-6014
[8]   The influence of ionic dispersion potentials on counterion condensation on polyelectrolytes [J].
Boström, M ;
Williams, DRM ;
Ninham, BW .
JOURNAL OF PHYSICAL CHEMISTRY B, 2002, 106 (32) :7908-7912
[9]   Surface tension of electrolytes:: Specific ion effects explained by dispersion forces [J].
Boström, M ;
Williams, DRM ;
Ninham, BW .
LANGMUIR, 2001, 17 (15) :4475-4478
[10]   Specific ion effects in solutions of globular proteins:: Comparison between analytical models and simulation [J].
Boström, M ;
Tavares, FW ;
Bratko, D ;
Ninham, BW .
JOURNAL OF PHYSICAL CHEMISTRY B, 2005, 109 (51) :24489-24494