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Phase-field modelling of electro-deoxidation in molten salt

机译:熔融盐中电脱氧的相场模拟

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摘要

A phase-field approach is used to describe electro-deoxidation, i.e. direct electrochemical reduction of solid oxides in molten salts. Based on this description, temporal evolutions of chemical and electric potential fields are simulated numerically in one and two dimensions of a hypothetical system. The results of the simulations illustrate three distinct stages of electro-deoxidation, including a relatively rapid initial stage in which the reduction process propagates at the surface of cathode. This initial stage of 'surface reduction', if present, can influence the process kinetics substantially. The existence of the initial stage is shown to depend most significantly on a specific topological property of the modelled cell, namely on the connectivity of the internal boundaries between pairs of model entities, i.e. cathode, current collector and electrolyte. The preliminary results also suggest the overall kinetics of electro-deoxidation, within the examined range of parameters, to be diffusion controlled and thus independent of the initial value of the electric conductivity of oxide.
机译:相场方法用于描述电脱氧,即直接电化学还原熔融盐中的固体氧化物。基于该描述,在假设系统的一维和二维中数值模拟了化学和电势场的时间演化。模拟的结果说明了电脱氧的三个不同阶段,包括相对快速的初始阶段,在该阶段中,还原过程在阴极表面传播。如果存在的话,“表面还原”的初始阶段会极大地影响过程动力学。已表明初始阶段的存在最主要地取决于建模电池的特定拓扑特性,即取决于成对的模型实体(即阴极,集电器和电解质)之间的内部边界的连通性。初步结果还表明,在检测的参数范围内,电脱氧的整体动力学受到扩散控制,因此与氧化物电导率的初始值无关。

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