4.6 Article

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

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PHYSICAL CHEMISTRY CHEMICAL PHYSICS
卷 6, 期 13, 页码 3467-3473

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ROYAL SOC CHEMISTRY
DOI: 10.1039/b316098j

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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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