Numerical Simulation of Solid Oxide Fuel Cell Tail Gas Catalytic Combustion Based on Three-Way Catalyst

doi:10.12096/j.2096-4528.pgt.22168

Abstract

Abstract:

As a clean and efficient advanced power generation equipment, the solid oxide fuel cell (SOFC) has the structural advantages of separation of air and fuel gas, which makes it easy to enrich the CO₂ in the tail gas of the fuel side. In order to improve the CO₂ concentration in SOFC anode tail gas, a steady-state multi-physical coupled model was established for the commercial three-way catalysts, considering the mass transfer, heat transfer, and chemical reaction processes in the catalytic combustion of SOFC anode tail gas. Based on this model, the catalytic combustion characteristics of SOFC anode tail gas were simulated. The effects of different inlet temperature, reaction space velocities and catalyst sizes on combustion temperature, wall temperature, H₂ conversion, CO conversion and outlet CO₂ concentration were studied, and the change trend of each parameter was obtained. Based on the existing experiments, the outlet CO₂ volume fraction could be increased from 94.72% to 95.33% by optimizing the space velocity, and the outlet CO₂ concentration could be increased from 94.72% to 95.64% by optimizing the catalyst size. By analyzing the variation characteristics of outlet CO₂ concentration under different working conditions in the catalytic combustion of tail gas, the guidance for the commercial three-way catalyst to be used in the catalytic conversion of anode tail gas and CO₂ enrichment in the tail gas of SOFC system was provided.

Key words: carbon emission, carbon capture, three-way catalyst, solid oxide fuel cell (SOFC), numerical simulation

CLC Number:

TK 16

Siqi GONG, Zaipeng YUN, Ming XU, Le AO, Chufu LI, Kai HUANG, Chen SUN. Numerical Simulation of Solid Oxide Fuel Cell Tail Gas Catalytic Combustion Based on Three-Way Catalyst[J]. Power Generation Technology, 2024, 45(2): 331-340.

Figures/Tables 14

Fig. 1 Physical model diagram

Tab. 1 Inlet component parameters

组分	CO	H₂	N₂	CO₂	O₂	H₂O
摩尔分数/%	4.8	8.0	1.0	29.9	6.4	49.9

Tab. 2 Physical parameters

参数	数值
催化剂孔隙率 $θ$	0.61
催化剂渗透率 $κ$ /m²	10^-6
发射率 $ε$	0.75
外界温度 $T e x t$ /K	293.15
H₂转化活化能 $E H 2$ /(J/mol)	6.225×10⁴
H₂转化指前因子 $A H 2$	8.193×10⁵
CO转化活化能 $E C O$ /(J/mol)	8.784×10⁴
CO转化指前因子 $A C O$	7.46×10⁶

Tab. 2 Physical parameters

参数	数值
催化剂孔隙率 $θ$	0.61
催化剂渗透率 $κ$ /m²	10^-6
发射率 $ε$	0.75
外界温度 $T e x t$ /K	293.15
H₂转化活化能 $E H 2$ /(J/mol)	6.225×10⁴
H₂转化指前因子 $A H 2$	8.193×10⁵
CO转化活化能 $E C O$ /(J/mol)	8.784×10⁴
CO转化指前因子 $A C O$	7.46×10⁶

Fig. 2 Temperature distribution of axial center line under different grid numbers

Fig. 3 Parameter distribution at different inlet temperatures

Fig. 4 Influence of different inlet temperatures on parameters on the central axis

Fig. 5 Parameter distribution of catalyst layer at space velocity of 126 000 h-1

Fig. 6 Parameter distribution of catalyst layer at space velocity of 55 125 h-1

Fig. 7 Effects of inlet temperature and space velocity on combustion temperature and wall temperature

Fig. 8 Effects of inlet temperature and space velocity on conversion and outlet CO2 concentration

Fig. 9 Parameter distribution of catalyst layer at catalyst height of 2 mm

Fig. 10 Parameter distribution of catalyst layer at catalyst height of 8 mm

Fig. 11 Effects of inlet temperature and catalyst size on combustion temperature and wall temperature

Fig. 12 Effects of inlet temperature and catalyst size on conversion and outlet CO2 concentration

References 384

1	周原冰，杨方，余潇潇，等．中国能源电力碳中和实现路径及实施关键问题[J]．中国电力，2022，55(5)：1-11．
	ZHOU Y B， YANG F， YU X X，et al ．Realization pathways and key problems of carbon neutrality in China’s energy and power system[J]．Electric Power，2022，55(5)：1-11．
2	姜红丽，刘羽茜，冯一铭，等．碳达峰、碳中和背景下“十四五”时期发电技术趋势分析[J]．发电技术，2022，43(1)：54-64． doi:10.12096/j.2096-4528.pgt.21030
	JIANG H L， LIU Y X， FENG Y M，et al ．Analysis of power generation technology trend in 14th Five-Year Plan under the background of carbon peak and carbon neutrality[J]．Power Generation Technology，2022，43(1)：54-64． doi:10.12096/j.2096-4528.pgt.21030
3	贠保记，张恩硕，张国，等．考虑综合需求响应与“双碳”机制的综合能源系统优化运行[J]．电力系统保护与控制，2022，50(22)：11-19．
	YUN B J， ZHANG E S， ZHANG G，et al ．Optimal operation of an integrated energy system considering integrated demand response and a “dual carbon” mechanism[J]．Power System Protection and Control，2022，50(22)：11-19．
4	严中华，王建功，朱英刚，等．考虑碳排放流理论的风-碳捕集-电转气联合新型中长期调度方式[J]．智慧电力，2022，50(6)：14-21． doi:10.3969/j.issn.1673-7598.2022.06.004
	YAN Z H， WANG J G， ZHU Y G，et al ．New medium-long term dispatching mode of wind-carbon capture P2G combined system considering carbon emission flow theory[J]．Smart Power，2022，50(6)：14-21． doi:10.3969/j.issn.1673-7598.2022.06.004
5	廖跃洪，陈洁，杨彦飞，等．考虑碳捕集电厂综合灵活运行下的含P2G和光热电站虚拟电厂优化调度[J]．电力建设，2022，43(4)：20-27． doi:10.12204/j.issn.1000-7229.2022.04.003
	LIAO Y H， CHEN J， YANG Y F，et al ．Optimal scheduling of virtual power plant with P2G and photo-thermal power plant considering the flexible operation of carbon capture power plants[J]．Electric Power Construction，2022，43(4)：20-27． doi:10.12204/j.issn.1000-7229.2022.04.003
6	严斐．中国电力行业碳排放省域聚类及影响因素差异分析[D]．北京：华北电力大学，2019．
	YAN F ．Provincial clustering of carbon emissions in China’s power industry and analysis of the differences of influencing factorss[D]．Beijing：North China Electric Power University，2019．
7	CHOUDHURY A， CHANDRA H， ARORA A ．Application of solid oxide fuel cell technology for power generation：a review[J]．Renewable and Sustainable Energy Reviews，2013，20：430-442． doi:10.1016/j.rser.2012.11.031
8	龚思琦，曾洪瑜，史翊翔，等．基于甲烷催化部分氧化的SOFC性能研究[J]．燃烧科学与技术，2019，25(1)：60-65．
	GONG S Q， ZENG H Y， SHI Y X，et al ．Study of performance of SOFC based on catalytic partial oxidation of methane[J]．Journal of Combustion Science and Technology，2019，25(1)：60-65．
9	GONG S Q， ZENG H Y， LIN J，et al ．A robust flat-chip solid oxide fuel cell coupled with catalytic partial oxidation of methane[J]．Journal of Power Sources，2018，402：124-132． doi:10.1016/j.jpowsour.2018.09.017
10	SHARAF O Z， ORHAN M F ．An overview of fuel cell technology：fundamentals and applications[J]．Renewable and Sustainable Energy Reviews，2014，32：810-853． doi:10.1016/j.rser.2014.01.012
11	KIRUBAKARAN A， JAIN S， NEMA R K ．A review on fuel cell technologies and power electronic interface[J]．Renewable and Sustainable Energy Reviews，2009，13(9)：2430-2440． doi:10.1016/j.rser.2009.04.004
12	曾洪瑜，史翊翔，蔡宁生．燃料电池分布式供能技术发展现状与展望[J]．发电技术，2018，39(2)：165-170． doi:10.12096/j.2096-4528.pgt.2018.026
	ZENG H Y， SHI Y X， CAI N S ．Development and prospect of fuel cell technology for distributed power system[J]．Power Generation Technology，2018，39(2)：165-170． doi:10.12096/j.2096-4528.pgt.2018.026
13	季明彬，李大钧，龚思琦，等．SOFC尾气催化燃烧特性[J]．燃烧科学与技术，2021，27(2)：201-207．
	JI M B， LI D J， GONG S Q，et al ．Catalytic combustion characteristics of SOFC tail gas[J]．Journal of Combustion Science and Technology，2021，27(2)：201-207．
14	陈星．固体氧化物燃料电池系统优化及后燃烧室催化燃烧特性分析[D]．包头：内蒙古科技大学，2019．
	CHEN X ．Optimization of solid oxide fuel cell system and analysis of catalytic combustion characteristics of afterburner[D]．Baotou：Inner Mongolia University of Science & Technology，2019．
15	VOLTZ S E， MORGAN C R，LIEDERMAN， JACOB D，et al ．Kinetic study of carbon monoxide and propylene oxidation on platinum catalysts[J]．Industrial & Engineering Chemistry Product Research and Development，1973，12(4)：294-301． doi:10.1021/i360048a006
16	CONAIRE M Ó， CURRAN H J， SIMMIE J M，et al ．A comprehensive modeling study of hydrogen oxidation[J]．International Journal of Chemical Kinetics，2004，36(11)：603-622． doi:10.1002/kin.20036
17	LUCCI F， FROUZAKIS C E， MANTZARAS J ．Three-dimensional direct numerical simulation of turbulent channel flow catalytic combustion of hydrogen over platinum[J]．Proceedings of the Combustion Institute，2013，34(2)：2295-2302． doi:10.1016/j.proci.2012.06.110
18	RANKOVIC N， NICOLLE A， BERTHOUT D，et al ．Kinetic modeling study of the oxidation of carbon monoxide-hydrogen mixtures over Pt/Al₂O₃ and Rh/Al₂O₃ catalysts[J]．The Journal of Physical Chemistry C，2011，115(41)：20225-20236． doi:10.1021/jp205476y
19	KÉROMNÈS A， METCALFE W K， HEUFER K A，et al ．An experimental and detailed chemical kinetic modeling study of hydrogen and syngas mixture oxidation at elevated pressures[J]．Combustion and Flame，2013，160(6)：995-1011． doi:10.1016/j.combustflame.2013.01.001
20	CHEN J J， WANG Q， HE Z X，et al ．Numerical simulation on catalytic combustion of hydrogen inside micro tube[J]．Advanced Materials Research，2011，354/355：57-61． doi:10.4028/www.scientific.net/amr.354-355.57
21	SUNG J G， KIM T， JUNG H K，et al ．Catalytic combustion of SOFC stack flue gas over CuO and Mn₂O₃ supported by La_0.8Sr_0.2Mn_0.67Cu_0.33O₃ perovskite[J]．AIChE Journal，2018(3)：940-949． doi:10.1002/aic.15980
22	LEE T H， KIM K D， JUNG U，et al ．Evaluation of monolith catalyst in catalytic combustion of anode off-gas for solid oxide fuel cell system[J]．Catalysis Today，2023，411/412：2-8． doi:10.1016/j.cattod.2023.02.009
23	张宏艳，牟元平，常志伟．汽车尾气净化三效催化剂研究进展[J]．化工科技，2006，14(5)：70-72． doi:10.3969/j.issn.1008-0511.2006.05.017
	ZHANG H Y， MU Y P， CHANG Z W ．Research and development of three way catalyst for purifying automobile exhaust[J]．Science ＆ Technology in Chemical Industry， 2006，14(5)：70-72． doi:10.3969/j.issn.1008-0511.2006.05.017
24	魏伟，史庆南，魏坤霞．汽车尾气三元净化催化剂的研究新进展[J]．贵金属，2002，23(2)：61-65． doi:10.3969/j.issn.1004-0676.2002.02.013
	WEI W， SHI Q N， WEI K X ．New development of three-way catalysts for purifying automotive exhaust gas[J]．Precious Metals，2002，23(2)：61-65． doi:10.3969/j.issn.1004-0676.2002.02.013
25	TISCHER S， JIANG Y， HUGHES K W，et al ．Three-way-catalyst modeling：a comparison of 1D and 2D simulations[C]//SAE Technical Paper Series．400 Commonwealth Drive，Warrendale，PA，United States：SAE International，2007：1071． doi:10.4271/2007-01-1071
26	马丽萍，宁平，张爱敏，等．汽车尾气三效催化器排气系统冷启动阶段数值模拟[J]．化工学报，2005，56(11)：2124-2130． doi:10.3321/j.issn:0438-1157.2005.11.017
	MA L P， NING P， ZHANG A M，et al ．Mathematical simulation of automotive exhaust catalytic converter in exhaust system of cold-start engine[J]．Journal of Chemical Industry and Engineering，2005，56(11)：2124-2130． doi:10.3321/j.issn:0438-1157.2005.11.017
27	DI MAIO D， BEATRICE C， FRAIOLI V，et al ．Modeling of three-way catalyst dynamics for a compressed natural gas engine during lean-rich transitions[J]．Applied Sciences，2019，9(21)：4610． doi:10.3390/app9214610
28	沈人杰，路巧艳，崔阳，等．三元催化转化器内部流场的数值模拟[J]．计算机与应用化学，2014，31(12)：1428-1432．
	SHEN R J， LU Q Y， CUI Y，et al ．Numerical simulation for the internal flow of the three-way catalytic converter[J]．Computers and Applied Chemistry，2014，31(12)：1428-1432．
29	吴国正，马丽萍．汽车尾气三元催化剂的动力学研究[J]．广东化工，2016，43(8)：70-71． doi:10.3969/j.issn.1007-1865.2016.08.032
	WU G Z， MA L P ．The kinetic study on three-way catalysis for automobile exhaust gas[J]．Guangdong Chemical Industry，2016，43(8)：70-71． doi:10.3969/j.issn.1007-1865.2016.08.032
30	RAMANATHAN K， SHARMA C S ．Kinetic parameters estimation for three way catalyst modeling[J]．Industrial & Engineering Chemistry Research，2011，50(17)：9960-9979． doi:10.1021/ie200726j
31	CHATTERJEE D， DEUTSCHMANN O， WARNATZ J ．Detailed surface reaction mechanism in a three-way catalyst[J]．Faraday Discussions，2001(119)：371-
384	. doi:10.1023/a:1010650624155

[1]	Sike SHAN, Hanxiao LIU, Meiling LIU, Shuai WANG, Ying CUI. Review of Carbon Footprint for Thermal Power Industry in China [J]. Power Generation Technology, 2024, 45(4): 575-589.
[2]	Zhenyu ZHAO, Geriletu BAO, Xinxin LI. Optimization and Scheduling of Integrated Energy Systems With Carbon Capture and Storage-Power to Gas Based on Information Gap Decision Theory [J]. Power Generation Technology, 2024, 45(4): 651-665.
[3]	Xin YUAN, Jun LIU, Heng CHEN, Peiyuan PAN, Gang XU, Xiuyan WANG. Effect of Carbon Capture Technology Application on Peak Shaving Capacity of Coal-Fired Units [J]. Power Generation Technology, 2024, 45(3): 373-381.
[4]	Jiahai YUAN, Yuelin HU, Jian ZHANG. The Carbon Emission Efficiency of China’s Listed Thermal Power Companies: An Improved Three-Stage Slack Based Measure-Data Envelopment Analysis Model [J]. Power Generation Technology, 2024, 45(3): 458-467.
[5]	Yuhang SUN, Chao LI, Zhengrong WANG, Luchang SUN, Kailiang WANG, Ximing HU, Mengxiang FANG, Feng ZHANG. Study on CO₂ Absorption and Regeneration Property of Flue Gas From Methyldiethanolamine-Amine Mixture System [J]. Power Generation Technology, 2024, 45(3): 468-477.
[6]	Ruiyu ZHANG, Yuqing WANG, Jiawei REN. Characteristics Research of a Micro-Tubular Solid Oxide Fuel Cell System Based on Catalytic Partial Oxidation of Propane [J]. Power Generation Technology, 2024, 45(3): 486-493.
[7]	Nan TU, Jiachen LIU, Jing XU, Jiabin FANG, Yanhua MA. Performance Analysis of Heat Storage and Release Process for a Shell-and-Tube Phase Change Heat Exchanger [J]. Power Generation Technology, 2024, 45(3): 508-516.
[8]	Xue LIU, Guodong LI, Ruiying ZHANG, Yichen HOU, Lei CHEN, Lijun YANG. Research on Axial Flow Fan Models of Air Cooling Island in Power Plant [J]. Power Generation Technology, 2024, 45(3): 545-557.
[9]	Zhenyu ZHAO, Xinxin LI. Low-Carbon Economic Dispatch Based on Ladder Carbon Trading Virtual Power Plant Considering Carbon Capture Power Plant and Power-to-Gas [J]. Power Generation Technology, 2023, 44(6): 769-780.
[10]	Rongrong ZHAI, Qing WEI, Lingjie FENG, Gexun SUN. Analysis of Energy Consumption Characteristics of Carbon Capture System in Coupled Membrane Condenser [J]. Power Generation Technology, 2023, 44(5): 667-673.
[11]	Yang YANG, Yaoqiang LI, Jinqi ZHANG. Design of Dome Structure for A Lean Premixed Swirled Combustor of Gas Turbine Based on the Numerical Method [J]. Power Generation Technology, 2023, 44(5): 712-721.
[12]	Siqin CHEN, Yinan ZHU, Xiaochen LI, Xuehai WANG. Research on Optimization Method of Coal Blending for Carbon Emission Reduction Based on Bi-level Programming [J]. Power Generation Technology, 2023, 44(2): 155-162.
[13]	Yang YANG, Desan GUO, Yaoqiang LI, Jinqi ZHANG. Design of Lean Premixed Multi-Swirl Combustor Dome Structure for Gas Turbine [J]. Power Generation Technology, 2023, 44(2): 183-192.
[14]	Wenbin LIU, Lulu LI, Xiaojin LI, Xuan YAO, Hairui YANG. Study on Parameter Optimization of Desulfurized Wet Flue Gas in Spray Condensation Process [J]. Power Generation Technology, 2023, 44(1): 107-114.
[15]	Ronghui WU, Dong LIU, Ye YU, Kailong MU, Lanhao ZHAO. Two-Way Fluid-Structure Interaction Numerical Simulation Method for Offshore Wind Power Based on Immersed Boundary Method [J]. Power Generation Technology, 2023, 44(1): 44-52.