3D multi-physics modeling of a gas diffusion electrode for oxygen reduction reaction for electrochemical energy conversion in PEM fuel cells

被引：22

作者：

Vasile, Nicolo S. ^{[1
]}

Doherty, Ronan ^{[2
]}

Videla, Alessandro H. A. Monteverde ^{[1
]}

Specchia, Stefania ^{[1
]}

机构：

[1] Politecn Torino, Dept Appl Sci & Technol, Corso Duca Abruzzi 24, I-10129 Turin, Italy

[2] Univ Strathclyde, Dept Chem & Proc Engn, 75 Montrose St, Glasgow G1 1XJ, Lanark, Scotland

来源：

APPLIED ENERGY | 2016年 / 175卷

关键词：

3D multi-physics modeling; Gas diffusion electrode; Oxygen reduction reaction; Pt catalyst; Fe-N-C catalyst; Electrochemical energy conversion; CATHODE CATALYST LAYER; ROTATING-DISK ELECTRODE; METHANOL CROSS-OVER; TEMPERATURE-DEPENDENCE; POROUS-ELECTRODES; NUMERICAL-SIMULATION; FLOW CHANNEL; PERFORMANCE; TRANSPORT; SURFACE;

D O I：

10.1016/j.apenergy.2016.04.030

中图分类号：

TE [石油、天然气工业]; TK [能源与动力工程];

学科分类号：

0807 ; 0820 ;

摘要：

A 3D multi-physics, multi-component and not isothermal model is developed to analyze the effects of catalyst structures on the performance of a gas diffusion electrode (GDE) cell toward the oxygen reduction reaction using dry oxygen as a reactant. The model includes Stokes-Brinkman, Maxwell-Stefan, and modified Butler-Volmer equations for simulating the performance of the GDE cell, solved by Comsol (R) Multiphysics v4.4a platform. The model is validated against experimental data, showing congruent and convergent responses for different electrodes based on noble and non-noble metals catalysts, confirming the accuracy of the model and the equations applied. The use of a 3D model incorporating porous materials can be used for evaluating mass transport and diffusivity parameters of the electrocatalyst, identifying the controlling variable in the process. The model can be used as an optimization tool for further improvement of catalyst synthesis, suggesting which properties can be tuned to improve the overall performance in the catalyst design.phase. (C) 2016 Elsevier Ltd. All rights reserved.

引用

页码：435 / 450

页数：16

共 73 条

[1]

[Anonymous], 2013, DOE FUEL CELL TECHNO

[2]

[Anonymous], 2008, PEM Fuel Cell Electrocatalysts and Catalyst Layers, DOI [10.1007/978-1-84800-936-3_2, DOI 10.1007/978-1-84800-936-3_2]

[3] A.C.-IMPEDANCE SPECTROSCOPY STUDY OF OXYGEN REDUCTION AT NAFION(R) COATED GAS-DIFFUSION ELECTRODES IN SULFURIC-ACID - TEFLON LOADING AND METHANOL CROSS-OVER EFFECTS [J].

ARICO, AS ;

ANTONUCCI, V ;

ALDERUCCI, V ;

MODICA, E ;

GIORDANO, N .

JOURNAL OF APPLIED ELECTROCHEMISTRY, 1993, 23 (11) :1107-1116

[4]

Babu S. Komini, 2015, ECS Transactions, V69, P23, DOI 10.1149/06917.0023ecst

[5] POTENTIAL AND CURRENT DISTRIBUTION IN POROUS-ELECTRODES UNDER CHARGE-TRANSFER KINETIC CONTROL [J].

BISANG, JM ;

JUTTNER, K ;

KREYSA, G .

ELECTROCHIMICA ACTA, 1994, 39 (8-9) :1297-1302

[6] Numerical Simulation of Single-Bubble Dynamics in High-Viscosity Ionic Liquids Using the Level-Set Method [J].

Carvajal, Danilo ;

Carlesi, Carlos ;

Melendez-Vejar, Victor ;

Vasquez-Sandoval, Dreidy ;

Monteverde-Videla, Alessandro H. A. ;

Bensaid, Samir .

CHEMICAL ENGINEERING & TECHNOLOGY, 2015, 38 (03) :473-481

[7] A thermostatic cell with gas diffusion electrode for oxygen reduction reaction under fuel cell relevant conditions [J].

Chen, Yan-Xia ;

Li, Ming-Fang ;

Liao, Ling-Wen ;

Xu, Jie ;

Ye, Shen .

ELECTROCHEMISTRY COMMUNICATIONS, 2009, 11 (07) :1434-1436

[8] Theory of porous electrodes: Calculation of overall cathode characteristics for the case where the polarization curve has segments with different slopes [J].

Chirkov, Yu. G. ;

Rostokin, V. I. .

RUSSIAN JOURNAL OF ELECTROCHEMISTRY, 2006, 42 (07) :722-728

[9] Reaction and transport in Ag/Ag2O gas diffusion electrodes of aqueous Li-O2 batteries: Experiments and modeling [J].

Danner, Timo ;

Horstmann, Birger ;

Wittmaier, Dennis ;

Wagner, Norbert ;

Bessler, Wolfgang G. .

JOURNAL OF POWER SOURCES, 2014, 264 :320-332

[10] Effective transport coefficients in PEM fuel cell catalyst and gas diffusion layers: Beyond Bruggeman approximation [J].

Das, Prodip K. ;

Li, Xianguo ;

Liu, Zhong-Sheng .

APPLIED ENERGY, 2010, 87 (09) :2785-2796

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