掺杂氧化铈-碳酸盐复合电解质导电性能的电阻网络模拟

摘要

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。

	Service

	把本文推荐给朋友
	加入我的书架
	加入引用管理器
	Email Alert
	RSS
	作者相关文章
	袁超伟
	张文
	王宇新

关键词：掺杂氧化铈碳酸盐复合电解质离子电导率随机电阻网络

Abstract：

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 network to calculate the ionic conductivity of the composite electrolytes. The dependence of O^2- and H⁺ conductivities on the volume fraction of carbonate, the grain size of doped ceria and temperature is simulated. 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.

Keywords： doped ceria； carbonate； composite electrolyte； ionic conductivity； random resistor network

Received 2015-04-29;

Corresponding Authors: 王宇新,E-mail:yxwang@tju.edu.cn。 Email: yxwang@tju.edu.cn

About author: 袁超伟(1990-),男,硕士,从事电化学计算方面的研究。

引用本文:

袁超伟, 张文, 王宇新.掺杂氧化铈-碳酸盐复合电解质导电性能的电阻网络模拟[J]. 化学工业与工程, 2017,34(4): 69-74

Yuan Chaowei, Zhang Wen, Wang Yuxin.Simulating the Ionic Conduction of Doped Ceria-CarbonateComposite Electrolyte via a Random Resistor Network Model[J]. Chemcial Industry and Engineering, 2017,34(4): 69-74

[1] Kharton V V, Marques F M B, Atkinson A. Transport properties of solid oxide electrolyte ceramics: A brief review [J]. Solid State Ionics, 2004, 174(1): 135-149
[2] Inaba H, Tagawa H. Ceria-Based solid electrolytes[J]. Solid State Ionics, 1996, 83(1): 1-16
[3] Liu X, Zhu B, Xu J, et al. Sulphate-Ceria composite ceramics for energy environmental co-generation technology[J]. Key Engineering Materials, 2004, 280: 425-430
[4] Zhu B. Functional ceria-salt-composite materials for advanced ITSOFC applications [J]. Journal of Power Sources, 2003, 114(1):1-9
[5] Zhu B, Liu X, Zhou P, et al. Innovative solid carbonate-ceria composite electrolyte fuel cells[J]. Electrochemistry Communications, 2001, 3(10): 566-571
[6] Zhao Y, Xia C, Xu Z, et al. Validation of H⁺/O^2- conduction in doped ceria-carbonate composite material using an electrochemical pumping method [J]. International Journal of Hydrogen Energy, 2012, 37(15): 11 378-11 382
[7] Zhu B, Albinsson I, Andersson C, et al. Electrolysis studies based on ceria-based composites[J]. Electrochemistry Communications, 2006, 8(3): 495-498
[8] Zhu B, Mat M D. Studies on dual phase ceria-based composites in electrochemistry[J]. International Journal of Electrochemical Sciences, 2006, 1(8): 383-402
[9] Zhu B. Next generation fuel cell R&D[J]. International Journal of Energy Research, 2006, 30(11): 895-903
[10] Zhu B, Li S, Mellander B E. Theoretical approach on ceria-based two-phase electrolytes for low temperature (300~600 C) solid oxide fuel cells[J]. Electrochemistry Communications, 2008, 10(2): 302-305
[11] Liu W, Liu Y, Li B, et al. Ceria (Sm³⁺, Nd³⁺)/carbonates composite electrolytes with high electrical conductivity at low temperature[J]. Composites Science and Technology, 2010, 70(1): 181-185
[12] Zhao Y, Xia C, Wang Y, et al. Quantifying multi-ionic conduction through doped ceria-carbonate composite electrolyte by a current-interruption technique and product analysis[J]. International Journal of Hydrogen Energy, 2012, 37(10): 8 556-8 561
[13] Zhao Y, Xu Z, Xia C, et al. Oxide ion and proton conduction in doped ceria-carbonate composite materials [J]. International Journal of Hydrogen Energy, 2013, 38(3): 1 553-1 559
[14] Yin H, Tang D, Zhu H, et al. Production of iron and oxygen in molten K₂CO₃-Na₂CO₃ by electrochemically splitting Fe₂O₃ using a cost affordable inert anode[J]. Electrochemistry Communications, 2011, 13(12): 1 521-1 524
[15] Tang D, Yin H, Xiao W, et al. Reduction mechanism and carbon content investigation for electrolytic production of iron from solid Fe₂O₃ in molten K₂CO₃-Na₂CO₃ using an inert anode[J]. Journal of Electroanalytical Chemistry, 2013, 689: 109-116
[16] Wang X, Ma Y, Li S, et al. Ceria-Based nanocomposite with simultaneous proton and oxygen ion conductivity for low-temperature solid oxide fuel cells[J]. Journal of Power Sources, 2011, 196(5): 2 754-2 758
[17] Huang J, Mao Z, Yang L, et al. SDC-Carbonate composite electrolytes for low-temperature SOFCs [J]. Electrochemical and Solid-State Letters, 2005, 8(9): A437-A440
[18] Liu R, Xie Y, Wang J, et al. Synthesis of ammonia at atmospheric pressure with Ce_0.8M_0.2O_2-δ(M=La, Y, Gd, Sm) and their proton conduction at intermediate temperature [J]. Solid State Ionics, 2006, 177(1): 73-76
[19] Sun W, Shi Z, Liu W. Considerable hydrogen permeation behavior through a dense Ce_0.8Sm_0.2O_2-δ(SDC) asymmetric thick film [J]. Journal of the Electrochemical Society, 2013, 160(6): F585-F590