Screening of spherical colloids beyond mean field: A local density functional approach

被引:13
作者
Barbosa, MC [1 ]
Deserno, M
Holm, C
Messina, R
机构
[1] Univ Fed Rio Grande do Sul, Inst Fis, BR-91501970 Porto Alegre, RS, Brazil
[2] Max Planck Inst Polymer Res, D-55128 Mainz, Germany
[3] Univ Dusseldorf, Inst Theoret Phys 2, D-40225 Dusseldorf, Germany
来源
PHYSICAL REVIEW E | 2004年 / 69卷 / 05期
关键词
D O I
10.1103/PhysRevE.69.051401
中图分类号
O35 [流体力学]; O53 [等离子体物理学];
学科分类号
070204 ; 080103 ; 080704 ;
摘要
We study the counterion distribution around a spherical macroion and its osmotic pressure in the framework of the recently developed Debye-Huckel-hole-cavity (DHHC) theory. This is a local density functional approach which incorporates correlations into Poisson-Boltzmann theory by adding a free energy correction based on the one-component plasma. We compare the predictions for ion distribution and osmotic pressure obtained by the full theory and by its zero temperature limit with Monte Carlo simulations. They agree excellently for weakly developed correlations and give the correct trend for stronger ones. In all investigated cases the DHHC theory and its computationally simpler zero temperature limit yield better results than the Poisson-Boltzmann theory.
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页数:9
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