Double layer interaction between charged parallel plates using a modified Poisson-Boltzmann equation to include size effects and ion specificity

被引:18
作者
Alijo, P. H. R. [1 ]
Tavares, F. W. [1 ,2 ]
Biscaia, E. C., Jr. [1 ]
机构
[1] Univ Fed Rio de Janeiro, COPPE, Programa Engn Quim, BR-21941972 Rio De Janeiro, Brazil
[2] Univ Fed Rio de Janeiro, Escola Quim, BR-21949900 Rio De Janeiro, Brazil
关键词
Colloidal systems; Modified Poisson-Boltzmann equation; Size effects; DENSITY-FUNCTIONAL THEORY; ELECTRICAL DOUBLE-LAYER; MEAN FORCE; CRYSTALLIZATION; ELECTROLYTES; EQUILIBRIUM; HYDRATION; PROTEINS; COLLOIDS; MODEL;
D O I
10.1016/j.colsurfa.2012.07.008
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 present calculations of double layer interaction between charged plates taking into account size effects on colloidal systems. Those are modeled using a modified version of Poisson-Boltzmann equation, including non-electrostatic interactions due to the size and the polarizability of each ion. The van der Waals interactions and size effects can properly describe ion specificity as observed experimentally in many colloidal systems. The differential-algebraic mathematical structure is used to solve the modified Poisson-Boltzmann equation. The DASSL code is recursively applied using a Newton-Raphson method to solve the corresponding boundary-value problem. Density profiles around colloidal particles are calculated for different charged-particles immersed in various electrolytes aqueous solutions. From these profiles, we could calculate the pressure (interaction) between the plates. The influence of charge and size asymmetries of ions on density profiles are studied in different solutions. Results show the adequacy of this modified form of the Poisson-Boltzmann equation and the proposed mathematic procedure to solve the needed equations, describing several properties of colloidal systems and ion size correlation. (C) 2012 Elsevier B.V. All rights reserved.
引用
收藏
页码:29 / 35
页数:7
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