掺杂氧化铈-碳酸盐复合电解质导电性能的电阻网络模拟

Simulating the Ionic Conduction of Doped Ceria-Carbonate Composite Electrolyte via a Random Resistor Network Model

首次用两相随机格点模型模拟掺杂氧化铈-碳酸盐复合电解质,进而将随机格点模型转变为随机电阻网络模型,对掺杂氧化铈-碳酸盐复合电解质导电性能进行了模拟。考察了碳酸盐体积分数、掺杂氧化铈颗粒的粒径大小、温度对复合电解质O^(2-)电导率和H^+电导率的影响。模拟结果与钐掺杂氧化铈-碳酸盐复合电解质电导率的实验数据进行了对比。结果表明,模拟计算值与实验值具有很好的吻合性。

For the first time, the structure of doped ceria-carbonate composite electrolytes in solid oxide fuel cells is modeled by a two phase random lattice, which is then converted into a random resistor net- work to calculate the ionic conductivity of the composite electrolytes. The dependence of 02- and H ~ conductivities on the volume fraction of carbonate, the grain size of doped ceria and temperature is simu- lated. The simulation results are compared with the experimentally obtained conductivities of samarium doped ceria-carbonate composite electrolytes. The simulation and experimental results are found to be in good agreement.