Citation: CHEN Qiu-Xiang, ZHANG Jie-Jing, WANG Yu-Xin. Micro-Modelling of PEMFC Taking Account of Gaseous and Liquid Water inside the Catalyst Layer[J]. Acta Physico-Chimica Sinica, ;2013, 29(03): 559-568. doi: 10.3866/PKU.WHXB201301082 shu

Micro-Modelling of PEMFC Taking Account of Gaseous and Liquid Water inside the Catalyst Layer

1.
1 State Key Laboratory of Chemical Engineering, School of Chemical Engineering and Technology, Tianjin University, Tianjin 300072, P. R. China;
2 School of Life Sciences, Jilin Agricultural University, Changchun 130118, P. R. China

Received Date: 31 October 2012
Available Online: 8 January 2013
Fund Project: 国家自然科学基金(20606025)资助项目 (20606025)

The performance of proton exchange membrane fuel cell (PEMFC) was simulated with a microstructure lattice model of the catalyst layer, including the effect of liquid and gaseous water. Comparisons of simulations where liquid water was and was not factored in were carried out, demonstrating the necessity of including liquid and gaseous water effects in the catalyst microstructure. The distribution of the degree of liquid water saturation, oxygen concentration, and rate of oxygen reduction with catalyst layer thickness were calculated, and factors affecting these distributions were investigated. Water‘flooding’in the catalyst layer had a significant influence on PEMFC performance. Higher catalyst layer porosity facilitated water drainage and was beneficial to PEMFC performance.
- Catalyst layer,
- Proton exchange membrane fuel cell,
- Lattice model,
- Liquid water transport,
- Liquid water saturation
1. [1]
  
  (1) He,W. S.; Yi, J. S.; Nguyen, T. V. AICHE J. 2000, 46, 2053.
2. [2]
  (2) Wang, Z. H.;Wang, C. Y.; Chen, K. S. J. Power Sources 2001,94, 40. doi: 10.1016/S0378-7753(00)00662-5
3. [3]
  (3) Bao, C.; Ouyang, M.; Yi, B. Tsinghua Sci. Technol. 2006, 11, 54.doi: 10.1016/S1007-0214(06)70155-9
4. [4]
  (4) Liu, X. L.; Lou, G. F.;Wen, Z. J. Power Sources 2010, 195,2764. doi: 10.1016/j.jpowsour.2009.11.019
5. [5]
  (5) Min, C. H. J. Power Sources 2010, 195, 1880. doi: 10.1016/j.jpowsour.2009.10.035
6. [6]
  (6) Akhtar, N.; Kerkhof, P. J. A. M. J. Fuel Cell Sci. Technol. 2012,9, 021010. doi: 10.1115/1.4005617
7. [7]
  (7) Kim, Y. B. Int. J. Energy Res. 2012, 36, 509. doi: 10.1002/er.v36.4
8. [8]
  (8) Lin, G. Y.; He,W. S.; Nguyen, T. V. J. Electrochem. Soc. 2004,151, A1999.
9. [9]
  (9) Ye, Q.; Nguyen, T. V. J. Electrochem. Soc. 2007, 154, B1242.
10. [10]
  (10) Wang, X. H.; Nguyen, T. V. J. Electrochem. Soc. 2008, 155,B1085.
11. [11]
  (11) Gerteisen, D.; Heilmann, T.; Ziegler, C. J. Power Sources 2009,187, 165. doi: 10.1016/j.jpowsour.2008.10.102
12. [12]
  (12) Obut, S.; Alper, E. J. Power Sources 2011, 196, 1920. doi: 10.1016/j.jpowsour.2010.10.030
13. [13]
  (13) Srinivasarao, M.; Bhattacharyya, D.; Rengaswamy, R.;Narasimhan, S. Chem. Eng. Res. Des. 2011, 89, 10. doi: 10.1016/j.cherd.2010.04.020
14. [14]
  (14) Zhang, J. J.; Yang,W.; Xu, L.;Wang, Y. X. Electrochim. Acta2011, 56, 6912. doi: 10.1016/j.electacta.2011.06.026
15. [15]
  (15) Wang, G. Q.; Mukherjee, P. P.;Wang, C. Y. Electrochim. Acta2006, 51, 3151. doi: 10.1016/j.electacta.2005.09.003
16. [16]
  (16) Wei, Z. D.; Ran, H. B.; Liu, X. A.; Liu, Y.; Sun, C. X.; Chan, S.H.; Shen, P. K. Electrochim. Acta 2006, 51, 3091. doi: 10.1016/j.electacta.2005.08.048
17. [17]
  (17) Wang, H. X.; Cao, P. Z.;Wang, Y. X. Front. Chem. Eng. China2007, 1, 146. doi: 10.1007/s11705-007-0027-3
18. [18]
  (18) Kim, S. H.; Pitsch, H. J. Electrochem. Soc. 2009, 156, B673.
19. [19]
  (19) Lange, K. J.; Sui, P. C.; Djilali, N. J. Electrochem. Soc. 2010,157, B1434.
20. [20]
  (20) Siddique, N. A.; Liu, F. Q. Electrochim. Acta 2010, 55, 5357.doi: 10.1016/j.electacta.2010.04.059
21. [21]
  (21) Zhang, J. J.; Cao, P. Z.; Xu, L.;Wang, Y. X. Front. Chem. Sci.Eng. 2011, 5, 297. doi: 10.1007/s11705-011-1201-1
22. [22]
  (22) Mukherjee, P. P.;Wang, C. Y. J. Electrochem. Soc. 2006, 153,A840.
23. [23]
  (23) Wang, G. Q.; Mukherjee, P. P.;Wang, C. Y. Electrochim. Acta2007, 52, 6367. doi: 10.1016/j.electacta.2007.04.073
24. [24]
  (24) Hattori, T.; Suzuki, A.; Sahnoun, R.; Koyama, M.; Tsuboi, H.;Hatakeyama, N.; Endou, A.; Takaba, H.; Kubo, M.; Del Carpio,C. A.; Miyamoto, A. Appl. Surf. Sci. 2008, 254, 7929. doi: 10.1016/j.apsusc.2008.03.165
25. [25]
  (25) Zhang, J. J. Simulations of the PEMFC ElectrodeMicrostructure. Ph.D Dissertation, Tianjin University, Tianjin,2011. [张洁婧. PEMFC 电极微观结构模拟[D]. 天津: 天津大学, 2011.]
26. [26]
  (26) Wang, Y.; Basu, S.;Wang, C. Y. J. Power Sources 2008, 179,603. doi: 10.1016/j.jpowsour.2008.01.047
27. [27]
  (27) Nam, J. H.; Kaviany, M. Int. J. Heat Mass Transf. 2003, 46,4595. doi: 10.1016/S0017-9310(03)00305-3
28. [28]
  (28) Leverett, M. C. Trans. AIME 1940, 152.
29. [29]
  (29) Qi, Z. G.; Kaufman, A. J. Power Sources 2003, 113, 37. doi: 10.1016/S0378-7753(02)00477-9
30. [30]
  (30) Chen, F.; Chang, M.; Hsieh, P. Int. J. Hydrog. Energy 2008, 33,2525. doi: 10.1016/j.ijhydene.2008.02.077
31. [31]
  (31) Kulikovsky, A. A.; Divisek, J.; Kornyshev, A. A. J. Electrochem.Soc. 1999, 146, 3981. doi: 10.1149/1.1392580
32. [32]
  (32) Ju, H.;Wang, C. Y.; Cleghorn, S.; Beuscher, U. J. Electrochem.Soc. 2006, 153, A249.
33. [33]
  (33) Gao, Q. J.;Wang, Y. X.; Xu, L.;Wei, G. Q.;Wang, Z. T. ActaPolymerica Sinica 2009, No.1, 45. [高启君, 王宇新, 许莉,卫国强, 王志涛. 高分子学报, 2009, No.1, 45.]
1. [1]
  Shi-Yu Lu , Wenzhao Dou , Jun Zhang , Ling Wang , Chunjie Wu , Huan Yi , Rong Wang , Meng Jin . Amorphous-Crystalline Interfaces Coupling of CrS/CoS₂ Few-Layer Heterojunction with Optimized Crystallinity Boosted for Water-Splitting and Methanol-Assisted Energy-Saving Hydrogen Production. Acta Physico-Chimica Sinica, 2024, 40(8): 2308024-0. doi: 10.3866/PKU.WHXB202308024
2. [2]
  Lijuan Liu , Xionglei Wang . Preparation of Hydrogels from Waste Thermosetting Unsaturated Polyester Resin by Controllable Catalytic Degradation: A Comprehensive Chemical Experiment. University Chemistry, 2024, 39(11): 313-318. doi: 10.12461/PKU.DXHX202403060
3. [3]
  Shule Liu . Application of SPC/E Water Model in Molecular Dynamics Teaching Experiments. University Chemistry, 2024, 39(4): 338-342. doi: 10.3866/PKU.DXHX202310029
4. [4]
  Da Wang , Xiaobin Yin , Jianfang Wu , Yaqiao Luo , Siqi Shi . All-Solid-State Lithium Cathode/Electrolyte Interfacial Resistance: From Space-Charge Layer Model to Characterization and Simulation. Acta Physico-Chimica Sinica, 2024, 40(7): 2307029-0. doi: 10.3866/PKU.WHXB202307029
5. [5]
  Xiaogang Liu , Mengyu Chen , Yanyan Li , Xiantao Ma . Experimental Reform in Applied Chemistry for Cultivating Innovative Competence: A Case Study of Catalytic Hydrogen Production from Liquid Formaldehyde Reforming at Room Temperature. University Chemistry, 2025, 40(7): 300-307. doi: 10.12461/PKU.DXHX202408007
6. [6]
  Yixuan Wang , Canhui Zhang , Xingkun Wang , Jiarui Duan , Kecheng Tong , Shuixing Dai , Lei Chu , Minghua Huang . Engineering Carbon-Chainmail-Shell Coated Co₉Se₈ Nanoparticles as Efficient and Durable Catalysts in Seawater-Based Zn-Air Batteries. Acta Physico-Chimica Sinica, 2024, 40(6): 2305004-0. doi: 10.3866/PKU.WHXB202305004
7. [7]
  Fengqiao Bi , Jun Wang , Dongmei Yang . Specialized Experimental Design for Chemistry Majors in the Context of “Dual Carbon”: Taking the Assembly and Performance Evaluation of Zinc-Air Fuel Batteries as an Example. University Chemistry, 2024, 39(4): 198-205. doi: 10.3866/PKU.DXHX202311069
8. [8]
  Kai CHEN , Fengshun WU , Shun XIAO , Jinbao ZHANG , Lihua ZHU . PtRu/nitrogen-doped carbon for electrocatalytic methanol oxidation and hydrogen evolution by water electrolysis. Chinese Journal of Inorganic Chemistry, 2024, 40(7): 1357-1367. doi: 10.11862/CJIC.20230350
9. [9]
  Yuena Yang , Xufang Hu , Yushan Liu , Yaya Kuang , Jian Ling , Qiue Cao , Chuanhua Zhou . The Realm of Smart Hydrogels. University Chemistry, 2024, 39(5): 172-183. doi: 10.3866/PKU.DXHX202310125
10. [10]
  Yue Zhang , Bao Li , Lixin Wu . GO-Assisted Supramolecular Framework Membrane for High-Performance Separation of Nanosized Oil-in-Water Emulsions. Acta Physico-Chimica Sinica, 2024, 40(5): 2305038-0. doi: 10.3866/PKU.WHXB202305038
11. [11]
  Jiao CHEN , Yi LI , Yi XIE , Dandan DIAO , Qiang XIAO . Vapor-phase transport of MFI nanosheets for the fabrication of ultrathin b-axis oriented zeolite membranes. Chinese Journal of Inorganic Chemistry, 2024, 40(3): 507-514. doi: 10.11862/CJIC.20230403
12. [12]
  Shengjuan Huo , Xiaoyan Zhang , Xiangheng Li , Xiangning Li , Tianfang Chen , Yuting Shen . Unveiling the Marvels of Titanium: Popularizing Multifunctional Colored Titanium Product Films. University Chemistry, 2024, 39(5): 184-192. doi: 10.3866/PKU.DXHX202310127
13. [13]
  Qingqing SHEN , Xiangbowen DU , Kaicheng QIAN , Zhikang JIN , Zheng FANG , Tong WEI , Renhong LI . Self-supporting Cu/α-FeOOH/foam nickel composite catalyst for efficient hydrogen production by coupling methanol oxidation and water electrolysis. Chinese Journal of Inorganic Chemistry, 2024, 40(10): 1953-1964. doi: 10.11862/CJIC.20240028
14. [14]
  Sumiya Akter Dristy , Md Ahasan Habib , Shusen Lin , Mehedi Hasan Joni , Rutuja Mandavkar , Young-Uk Chung , Md Najibullah , Jihoon Lee . Exploring Zn doped NiBP microspheres as efficient and stable electrocatalyst for industrial-scale water splitting. Acta Physico-Chimica Sinica, 2025, 41(7): 100079-0. doi: 10.1016/j.actphy.2025.100079
15. [15]
  Liu Lin , Zemin Sun , Huatian Chen , Lian Zhao , Mingyue Sun , Yitao Yang , Zhensheng Liao , Xinyu Wu , Xinxin Li , Cheng Tang . Recent Advances in Electrocatalytic Two-Electron Water Oxidation for Green H₂O₂ Production. Acta Physico-Chimica Sinica, 2024, 40(4): 2305019-0. doi: 10.3866/PKU.WHXB202305019
16. [16]
  Meiran Li , Yingjie Song , Xin Wan , Yang Li , Yiqi Luo , Yeheng He , Bowen Xia , Hua Zhou , Mingfei Shao . Nickel-Vanadium Layered Double Hydroxides for Efficient and Scalable Electrooxidation of 5-Hydroxymethylfurfural Coupled with Hydrogen Generation. Acta Physico-Chimica Sinica, 2024, 40(9): 2306007-0. doi: 10.3866/PKU.WHXB202306007
17. [17]
  Xueting Cao , Shuangshuang Cha , Ming Gong . Interfacial Electrical Double Layer in Electrocatalytic Reactions: Fundamentals, Characterizations and Applications. Acta Physico-Chimica Sinica, 2025, 41(5): 100041-0. doi: 10.1016/j.actphy.2024.100041
18. [18]
  Zhaoxuan ZHU , Lixin WANG , Xiaoning TANG , Long LI , Yan SHI , Jiaojing SHAO . Application of poly(vinyl alcohol) conductive hydrogel electrolytes in zinc ion batteries. Chinese Journal of Inorganic Chemistry, 2025, 41(5): 893-902. doi: 10.11862/CJIC.20240368
19. [19]
  Nengmin ZHU , Wenhao ZHU , Xiaoyao YIN , Songzhi ZHENG , Hao LI , Zeyuan WANG , Wenhao WEI , Xuanheng CHEN , Weihai SUN . Preparation of high-performance CsPbBr₃ perovskite solar cells by the aqueous solution solvent method. Chinese Journal of Inorganic Chemistry, 2025, 41(6): 1131-1140. doi: 10.11862/CJIC.20240419
20. [20]
  Ke Qiu , Fengmei Wang , Mochou Liao , Kerun Zhu , Jiawei Chen , Wei Zhang , Yongyao Xia , Xiaoli Dong , Fei Wang . A Fumed SiO₂-based Composite Hydrogel Polymer Electrolyte for Near-Neutral Zinc-Air Batteries. Acta Physico-Chimica Sinica, 2024, 40(3): 2304036-0. doi: 10.3866/PKU.WHXB202304036

Get Citation

PDF

XML

Metrics

PDF Downloads(641)
Abstract views(971)
HTML views(13)

通讯作者: 陈斌, bchen63@163.com

1.
沈阳化工大学材料科学与工程学院沈阳 110142