Monatshefte für Chemie - Chemical Monthly ( IF 1.8 ) Pub Date : 2024-01-09 , DOI: 10.1007/s00706-023-03150-8 Petr Vyroubal , Martin Mačák , Tomáš Kazda , Marek Sedlařík
The presented article deals with the creation of an own numerical model for the simulation of cyclic voltammetry in the field of electrochemistry. In practice, it is necessary to compare the result of voltammetry with the theoretical assumption to be able to obtain quantitative information from experiments. However, the electrochemical kinetics described by voltammetry is almost always a nonlinear transient problem. Apart from a few cases, an analytical solution is not possible and that is why computer simulation is necessary. The benefit of this work is the implementation of a more robust mathematical model in the ANSYS Fluent solver and the demonstration of its functionality.
Graphical abstract
中文翻译:
用于模拟电化学循环伏安法的 FLUENT 模型
本文涉及创建一个自己的数值模型,用于模拟电化学领域的循环伏安法。在实践中,需要将伏安法的结果与理论假设进行比较,才能从实验中获得定量信息。然而,伏安法描述的电化学动力学几乎总是非线性瞬态问题。除了少数情况外,分析解决方案是不可能的,这就是为什么需要计算机模拟。这项工作的好处是在 ANSYS Fluent 求解器中实现了更稳健的数学模型并演示了其功能。