论文标题
基于电场的泊松波尔兹曼：将移动电荷视为极化
Electric field based Poisson-Boltzmann: Treating mobile charge as polarization
论文作者
论文摘要
电解溶液中的移动电荷原则上可以表示为离子极化的差异。添加显式溶剂极化后，可以将有限体积的电解质视为复合材料非均匀的介电体。 Writing the electrostatic interactions as an integral over electric field energy density we show that the Poisson-Boltzmann functional in this formulation is convex and can be used to derive the equilibrium equations for electric potential and ion concentration by a variational procedure developed by Ericksen for dielectric continua (Arch. Rational Mech. Anal. 2007, 183, 299-313).麦克斯韦场方程是通过代表介电位移的向量电势扩展变异参数的集合来实现的，该矢量电势在介电系统中完全横向而没有嵌入式外部电荷。该表示中的电场能量密度是矢量电位的函数以及离子和溶剂极化的总和，从而显式筛选。
Mobile charge in an electrolytic solution can in principle be represented as the divergence of ionic polarization. After adding explicit solvent polarization a finite volume of electrolyte can then be treated as a composite non-uniform dielectric body. Writing the electrostatic interactions as an integral over electric field energy density we show that the Poisson-Boltzmann functional in this formulation is convex and can be used to derive the equilibrium equations for electric potential and ion concentration by a variational procedure developed by Ericksen for dielectric continua (Arch. Rational Mech. Anal. 2007, 183, 299-313). The Maxwell field equations are enforced by extending the set of variational parameters by a vector potential representing the dielectric displacement which is fully transverse in a dielectric system without embedded external charge. The electric field energy density in this representation is a function of the vector potential and the sum of ionic and solvent polarization making the mutual screening explicit.
