ELC Software and Tutorial

The files presented here are part of a long-term effort in developing stable and tractable simulation tools for modeling desalination by capacitive deionization (CDI). Recently, we presented an electrolytic-capacitor (ELC) model, which blends CDI modeling with existing tools in battery and supercapacitor simulations. Here, we present a comprehensive COMSOL file for implementing the model. There is also a video tutorial showing how to use the model. The model can simulate time-dependent CDI processes in 2D. The model generates trends for the internal concentration, the current, the adsorption, the cumulative adsorption and current, and the cell voltage. It also stimulates the internal flow distribution. Optional features that are covered include CV/CC charging, continuous/batch flow mode, and options to include leakage reactions. The physics are set up so that the geometry can be independently changed to simulate new devices. In short, we present a versatile software for simulating a broad range of CDI processes.本次提供的文件，属于长期研发稳定易用的电容去离子（capacitive deionization，CDI）脱盐模拟工具的工作成果之一。此前我们已提出一种电解电容（electrolytic-capacitor，ELC）模型，该模型将CDI模拟与现有电池及超级电容器模拟工具相结合。本次我们提供了用于实现该模型的完整COMSOL仿真文件，同时附带一份讲解模型使用方法的视频教程。 该模型支持二维时变CDI过程模拟，可输出内部浓度、电流、吸附量、累积吸附量与累积电流以及池电压的变化趋势，还可模拟内部流场分布。其涵盖的可选功能包括CV/CC充电、连续流/间歇流模式，以及是否包含泄漏反应的配置项。模型的物理场设置支持独立修改几何结构，以适配新型器件的模拟需求。 简言之，本工作提供了一款可灵活适配多种CDI过程模拟的通用仿真工具。