Modeling Electrochemical Oxidation of Hydrogen on Ni-YSZ Pattern Anodes

被引:129
作者
Goodwin, David G. [1 ]
Zhu, Huayang [2 ]
Colclasure, Andrew M. [2 ]
Kee, Robert J. [2 ]
机构
[1] CALTECH, Pasadena, CA 91125 USA
[2] Colorado Sch Mines, Golden, CO 80401 USA
关键词
charge exchange; electrochemical electrodes; hydrogen; nickel compounds; oxidation; solid oxide fuel cells; surface chemistry; yttrium compounds; zirconium compounds; OXIDE FUEL-CELLS; YTTRIA-STABILIZED ZIRCONIA; POLARIZATION CHARACTERISTICS; H2-H2O ATMOSPHERES; CERMET ELECTRODES; TRANSPORT; SURFACE; DIFFUSION; MIXTURES; ZRO2;
D O I
10.1149/1.3148331
中图分类号
O646 [电化学、电解、磁化学];
学科分类号
081704 ;
摘要
A computational model is developed to represent the coupled behavior of elementary chemistry, electrochemistry, and transport in the vicinity of solid-oxide fuel cell three-phase boundaries. The model is applied to assist the development and evaluation of H-2 charge-transfer reaction mechanisms for Ni-yttria-stabilized zirconia (YSZ) anodes. Elementary chemistry and surface transport for the Ni and YSZ surfaces are derived from prior literature. Previously published patterned-anode experiments [J. Mizusaki , Solid State Ionics, 70/71, 52 (1994)] are used to evaluate alternative electrochemical charge-transfer mechanisms. The results show that a hydrogen-spillover mechanism can explain the Mizusaki polarization measurements over wide ranges of gas-phase composition with both anodic and cathodic biases.
引用
收藏
页码:B1004 / B1021
页数:18
相关论文
共 45 条
[1]   Hydrogen oxidation and proton transport at the Ni-zirconia interface in solid oxide fuel cell anodes: Quantum chemical predictions [J].
Anderson, Alfred B. ;
Vayner, Ellen .
SOLID STATE IONICS, 2006, 177 (15-16) :1355-1359
[2]   Ab initio study of yttria-stabilized cubic zirconia surfaces -: art. no. 075417 [J].
Ballabio, G ;
Bernasconi, M ;
Pietrucci, F ;
Serra, S .
PHYSICAL REVIEW B, 2004, 70 (07) :075417-1
[3]   A new computational approach for SOFC impedance from detailed electrochemical reaction-diffusion models [J].
Bessler, WG .
SOLID STATE IONICS, 2005, 176 (11-12) :997-1011
[4]   A new framework for physically based modeling of solid oxide fuel cells [J].
Bessler, Wolfgang G. ;
Gewies, Stefan ;
Vogler, Marcel .
ELECTROCHIMICA ACTA, 2007, 53 (04) :1782-1800
[5]   The influence of equilibrium potential on the hydrogen oxidation kinetics of SOFC anodes [J].
Bessler, Wolfgang G. ;
Warnatz, Juergen ;
Goodwin, David G. .
SOLID STATE IONICS, 2007, 177 (39-40) :3371-3383
[6]   State-space modeling of the anodic SOFC system Ni, H2-H2O|YSZ [J].
Bieberle, A ;
Gauckler, LJ .
SOLID STATE IONICS, 2002, 146 (1-2) :23-41
[7]   Reaction mechanism of Ni pattern anodes for solid oxide fuel cells [J].
Bieberle, A ;
Gauckler, LJ .
SOLID STATE IONICS, 2000, 135 (1-4) :337-345
[8]   The electrochemistry of Ni pattern anodes used as solid oxide fuel cell model electrodes [J].
Bieberle, A ;
Meier, LP ;
Gauckler, LJ .
JOURNAL OF THE ELECTROCHEMICAL SOCIETY, 2001, 148 (06) :A646-A656
[9]  
Cohen S. D., 1996, Computers in Physics, V10, P138
[10]  
de Boer B, 1998, THESIS U TWENTE TWEN