Theory of the electric double layer using a modified poisson–boltzman equation
Theory of the electric double layer using a modified poisson–boltzman equation
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DOI：
10.1039/f29807601388
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发表时间：
1980
期刊：
影响因子：
--
通讯作者：
C. W. Outhwaite;L. B. Bhuiyan;S. Levine
中科院分区：
文献类型：
--
作者：
C. W. Outhwaite;L. B. Bhuiyan;S. Levine
以1：1受限模型电解液为例，数值求解了扩散双层理论中的修正Poisson-Boltzmann方程，其中包含了涨落体积项和排斥体积项的估计。当忽略镜像项时，考虑了三种不同表面电荷的电解液浓度下对排斥体积项的两种估计。给出了详细的数值计算，并给出了平均静电势、离子壁分布函数和微分电容等双层结构的性质。与Gouy-Chapman-Stern理论和一些初步的超网链(HNC)计算进行了比较。
A modified Poisson–Boltzmann equation in diffuse double-layer theory which includes estimates for the fluctuation and exclusion volume terms is solved numerically for a 1 : 1 restricted-model electrolyte. Two estimates of the exclusion-volume term are considered at three electrolyte concentrations with varying surface charge when image terms are neglected. Details are given of the numerical calculation and double-layer properties such as the mean electrostatic potential, the ion–wall distribution functions and the differential capacitance are presented. Comparisons are made with the Gouy–Chapman–Stern theory and with some preliminary hypernetted chain (HNC) calculations.