Investigation of electrochemical double layers in solid oxide cells

这个跨学科的项目旨在提高对固体氧化物电化学电池(SOCs)Ni-Y3稳定的氧化锆电极基本过程的定性和定量理解。如表面吸附、体和表面扩散、电化学反应、静电势分布等。利用非平衡热力学框架，建立了SOC的模型层次。将特别关注电化学双分子层中带电物种相互作用的非平衡描述和热力学一致性界面条件的推导。在与捷克项目合作伙伴的密切合作下，该模型的预测将与实验结果进行比较。为了从模型中获得定量的数据，采用热力学一致的离散化方法将其转化为数值模型。数值模拟应包括考虑中的电化学过程和获得测量数据的方法，重点是电化学阻抗谱。这种方法将允许与实验结果的直接比较，识别物理模型参数，理解各种界面现象的相互作用，并识别SOC中的限制过程。

This interdisciplinary project aims to improve the qualitative and quantitative understanding of the fundamental processes in solid oxide electrochemical cells (SOCs) Ni-Yttria-stabilized Zirconia electrode. such as surface adsorption, bulk and surface diffusion, electrochemical reactions, electrostatic potential distribution.Using the framework of non-equilibrium thermodynamics, a model hierarchy for SOCs will be formulated. Special attention will be given to the non-equilibrium description of charged species interaction in the electrochemical double layers and to the derivation of thermodynamically consistent interfacial conditions.In close cooperation with the Czech project partner, the predictions of this model will be compared to experimental results. In order to obtain quantitative data from the model, it will be transformed into a numerical model using thermodynamically consistent discretization approaches. Numerical simulations shall include both the electrochemical processes under consideration and the approaches to obtain measured data, with emphasis on electrochemical impedance spectroscopy. This approach will allow for a direct comparison to experimental results, identification of physical model parameters, understanding of interplay of various interfacial phenomena and the identification of limiting processes in SOCs.