This work presents a finite element method for a modified Poisson-Nernst-Planck/Navier-Stokes (PNP/NS) model under the mechanical equilibrium, developed for compressible electrolytes. The modification is based on the new model proposed by Dreyer, Guhlke and Muller [39], where the diffusion flux in the classical PNP system is replaced with an implicitly involved new diffusion flux, leading to fractional nonlinearity. He and Sun [42] previously developed a numerical approach for another type of modification, where the Poisson equation in the PNP system was substituted with a fourth-order elliptic equation. Another key contribution of this work is the reduction of the equilibrium system to a modified Poisson-Boltzmann system. The proposed numerical scheme is capable of handling both compressible and incompressible regimes by employing a bulk modulus parameter, which governs the fluid's compressibility and enables seamless transition between these regimes. To emphasize practical relevance, we discuss the implications of compressible electrolytes in the context of double-layer capacitance behavior. We also conduct numerical simulations over various domains to demonstrate its applicability under various operating conditions, including temperature fluctuations and variations in the bulk modulus. The numerical results validate the accuracy and robustness of our computational scheme and demonstrate that the observed limiting behavior for the incompressible regime aligns with the theoretical trends anticipated by Dreyer et al. [39].
翻译:本文提出了一种针对机械平衡状态下可压缩电解质的修正Poisson-Nernst-Planck/Navier-Stokes(PNP/NS)模型的有限元方法。该修正是基于Dreyer、Guhlke和Muller[39]提出的新模型,其中经典PNP体系中的扩散通量被替换为隐式包含的新扩散通量,从而引入了分数阶非线性。He和Sun[42]先前针对另一种修正类型开发了数值方法,该修正将PNP体系中的Poisson方程替换为四阶椭圆方程。本工作的另一关键贡献是将平衡系统简化为修正的Poisson-Boltzmann系统。所提出的数值方案通过引入控制流体压缩性的体积模量参数,能够同时处理可压缩与不可压缩状态,并实现两种状态间的无缝转换。为突出实际应用价值,我们探讨了可压缩电解质在双电层电容行为中的影响。我们还在多种计算域上进行了数值模拟,以验证其在包括温度波动和体积模量变化在内的不同工况下的适用性。数值结果验证了本计算方案的准确性与鲁棒性,并证明在不可压缩状态下观察到的极限行为与Dreyer等人[39]预期的理论趋势一致。