Comparison of the modified Poisson–Boltzmann theory with recent density functional theory and simulation results in the planar electric double layer
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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DOI：
10.1039/b316098j
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发表时间：
2004-07
影响因子：
3.3
通讯作者：
L. B. Bhuiyan;C. W. Outhwaite
中科院分区：
文献类型：
--
作者：
L. B. Bhuiyan;C. W. Outhwaite
对平面双电层的结构和热力学进行了修正的泊松-玻尔兹曼结果与最近密度泛函理论和蒙特卡罗结果的比较研究。扩散层电位降、壁离子分布函数和平均静电势的结果表明，两种理论的预测性质具有显著的一致性。这些预测也与新一代相应的机器模拟结果非常吻合。并给出了一些改进的泊松-玻尔兹曼成像结果。
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.