Comparison of the modified Poisson-Boltzmann theory with recent density functional theory and simulation results in the planar electric double layer

被引:79
作者
Bhuiyan, LB [1 ]
Outhwaite, CW
机构
[1] Univ Puerto Rico, Dept Phys, Theoret Phys Lab, San Juan, PR 00931 USA
[2] Univ Sheffield, Dept Appl Math, Sheffield S3 7RH, S Yorkshire, England
关键词
D O I
10.1039/b316098j
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
A comparative study is made of the modified Poisson-Boltzmann results with those of some recent density functional theory and Monte-Carlo results, for the structure and thermodynamics of the planar electric double layer. The results for the diffuse layer potential drop, the wall-ion distribution functions, and the mean electrostatic potential indicate a remarkable degree of consistency in the predictive properties of the two theories. These predictions are also in very close agreement with a new generation of corresponding machine simulation results. Some modified Poisson-Boltzmann results for imaging are also presented.
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页码:3467 / 3473
页数:7
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