Citation: ZENG Jian-Bang, JIANG Fang-Ming. A Mesoscale Smoothed Particle Hydrodynamics Model for Lithium-Ion Batteries[J]. Acta Physico-Chimica Sinica, ;2013, 29(11): 2371-2384. doi: 10.3866/PKU.WHXB201309131 shu

A Mesoscale Smoothed Particle Hydrodynamics Model for Lithium-Ion Batteries

1.
Laboratory of Advanced Energy System, CAS Key Laboratory of Renewable Energy, Guangzhou Institute of Energy Conversion, Chinese Academy of Sciences, Guangzhou 510640, P. R. China

Received Date: 31 July 2013
Available Online: 13 September 2013
Fund Project: 国家自然科学基金(51206171) (51206171)中国科学院广州能源研究所所长创新基金(y207r31001) (y207r31001)

We develop a model for the multi-disciplinary transport coupled electrochemical reaction processes in lithium-ion batteries via a smoothed particle hydrodynamics numerical approach. This model is based on a mesoscopic treatment to the micropore structures of electrodes. Focusing on the effects of solid active particle size, this work explores the feasibility of using this model for electrode microstructure design. The model results provide detailed distributive information of all the primary and participating parameters, including Li⁺ concentration in the electrolyte, Li concentration in solid active particles, solid/electrolyte phase potential, and transfer current density. Furthermore, macroscopic parameters such as the output voltage are also determined. Based on the simulation results, the underlying physicochemical fundamentals are analyzed and the relationships between the macroscopic performance of the battery and the size of solid active particles are revealed. The battery having the smallest solid active particles in both electrodes features a more uniform Li distribution inside the particles and a more uniform distribution of electrochemical reactions on the surface of each particle, leading to a higher output voltage.
- Smoothed particle hydrodynamics,
- Lithium-ion battery,
- Mesoscale,
- Multi-disciplinary transport process,
- Solid active particle size
1. [1]
  
  (1) Jiang, F. M.; Zeng, J. B.;Wu,W. Adv. Mater. Indus. 2011, 12, 2.[蒋方明, 曾建邦, 吴伟. 新材料产业, 2011, 12, 2.]
2. [2]
  (2) Venkatasailanathan, R.; Paul,W. C. N.; Sumitava, D.; Shriram,S.; Richard, D. B.; Venkat, R. S. J. Electrochem. Soc. 2012, 159 (3), R31.
3. [3]
  (3) Du,W. B.; Gupta, A.; Zhang, X. C.; Sastry, A. M.; Shyy,W. Int. J. Heat Mass Transfer 2010, 53 (17-18), 3552. doi: 10.1016/j.ijheatmasstransfer.2010.04.017
4. [4]
  (4) Gu,W. B.;Wang, C. Y. J. Electrochem. Soc. 2000, 147 (8),2910. doi: 10.1149/1.1393625
5. [5]
  (5) Wang, C. Y.; Gu,W. B.; Liaw, B. Y. J. Electrochem. Soc. 1998,145 (10), 3407. doi: 10.1149/1.1838820
6. [6]
  (6) Smith, K.;Wang, C. Y. J. Power Sources 2006, 161, 628. doi: 10.1016/j.jpowsour.2006.03.050
7. [7]
  (7) Fang,W. F.; Kwon, O. J.;Wang, C. Y. Int. J. Energy Res. 2010,34 (2), 107. doi: 10.1002/er.1652
8. [8]
  (8) Ye, Y. H.; Shi, Y. X.; Cai, N. S.; Lee, J. J.; He, X. M. J. Power Sources 2012, 199, 227. doi: 10.1016/j.jpowsour.2011.10.027
9. [9]
  (9) Zhang, X.; Shyy,W.; Sastry, A. M. J. Electrochem. Soc. 2007,154 (10), A910.
10. [10]
  (10) Zhang, X.; Sastry, A. M.; Shyy,W. J. Electrochem. Soc. 2008,155 (7), A542.
11. [11]
  (11) Yi, Y. B.;Wang, C.W.; Sastry, A. M. J. Eng. Mater. Techonol.2006, 128 (1), 73. doi: 10.1115/1.2130733
12. [12]
  (12) Wang, C.W.; Sastry, A. M. J. Electrochem. Soc. 2007, 154 (11),A1035.
13. [13]
  (13) Garcia, R. E.; Chiang, Y. M.; Carter,W. C.; Limthongkul, P.;Bishop, C. M. J. Electrochem. Soc. 2005, 152 (1), A255.
14. [14]
  (14) Garcia, R. E.; Chiang, Y. M. J. Electrochem. Soc. 2007, 154 (9),A856
15. [15]
  (15) Smith, M.; Garcia, R. E.; Horn, Q. C. J. Electrochem. Soc. 2009,156 (11), A896.
16. [16]
  (16) Awarke, A.;Wittler, M.; Pischinger, S.; Bockstette, J.J. Electrochem. Soc. 2012, 159 (6), A798.
17. [17]
  (17) Liu, M. B.; Liu, G. R. Arch. Comput. Methods Eng. 2010, 17 (1), 25. doi: 10.1007/s11831-010-9040-7
18. [18]
  (18) Jiang, F. M.; Sousa, A. C. M. Heat Mass Transfer 2007, 43 (5),479. doi: 10.1007/s00231-006-0131-9
19. [19]
  (19) Jiang, F. M.; Oliveira, M. C. A.; Sousa, A. C. M. Comput. Phys. Commun. 2007, 176 (7), 471. doi: 10.1016/j.cpc.2006.12.003
20. [20]
  (20) Jiang, F. M.; Sousa, A. C. M. J. Porous Media 2010, 13 (11),951. doi: 10.1615/JPorMedia.v13.i11
21. [21]
  (21) Vishwakarma, V.; Das, A. K.; Das, P. K. Appl. Therm. Eng.2011, 31 (14), 2963.
22. [22]
  (22) Wang, P.; Shao, J. L.; Qin, C. S. Acta Phys. Sin. 2012, 61 (23),234701. [王裴, 邵建立, 秦承森. 物理学报, 2012, 61 (23),234701.]
23. [23]
  (23) Tartakovsky, A. M.; Tartakovsky, D. M.; Scheibe, T. D.; Meakin,P. SIAM J. Sci. Comput. 2008, 30 (6), 2799. doi: 10.1137/070691097
24. [24]
  (24) Das, A. K.; Das, P. K. Int. J. Numer. Meth. Fl. 2011, 67 (6),671. doi: 10.1002/fld.v67.6
25. [25]
  (25) Jiang, T.; Ouyang, J.; Li, X. J.; Zhang, L.; Ren, J. L. Acta Phys. Sin. 2011, 60 (9), 054701. [蒋涛, 欧阳杰, 栗雪娟, 张林,任金莲. 物理学报, 2011, 60 (9), 054701.]
26. [26]
  (26) Ma, L. Q.; Chang, J. Z.; Liu, H. T.; Liu, M. B. Acta Phys. Sin.2012, 61 (5), 054701. [马理强, 常建忠, 刘汉涛, 刘谋斌. 物理学报, 2012, 61 (5), 054701.]
27. [27]
  (27) Han, Y.W.; Qiang, H. F.; Zhao, J. L.; Gao,W. R. Acta Phys. Sin.2013, 62 (4), 044702. [韩亚伟, 强洪夫, 赵玖玲, 高巍然. 物理学报, 2013, 62 (4), 044702.]
28. [28]
  (28) Wang, G. Q.; Mukherjee, P. P.;Wang, C. Y. Electrochim. Acta2006, 51, 3139. doi: 10.1016/j.electacta.2005.09.002
29. [29]
  (29) Wang, G. Q.; Mukherjee, P. P.;Wang, C. Y. Electrochim. Acta2006, 51, 3151. doi: 10.1016/j.electacta.2005.09.003
30. [30]
  (30) Nagarajan, G. S.; Zee, J.W. V.; Spotnitz, R. M. J. Electrochem. Soc. 1998, 145 (3), 771. doi: 10.1149/1.1838344
31. [31]
  (31) Ramadass, P.; Haran, B.; madam, P. M.; White, R.; Popov, B.N. J. Electrochem. Soc. 2004, 151 (2), A196.
32. [32]
  (32) Kuzminskii, Y. V.; Nyrkova, L. I.; Andriiko, A. A. J. Power Sources 1993, 46, 29. doi: 10.1016/0378-7753(93)80032-K
33. [33]
  (33) Cleary, P.W.; Monaghan, J. J. J. Comput. Phys. 1999, 148 (1),227. doi: 10.1006/jcph.1998.6118
34. [34]
  (34) Monaghan, J. J. Comput. Phys. Rep. 1985, 3 (2), 71. doi: 10.1016/0167-7977(85)90010-3
35. [35]
  (35) Verlet, L. Phys. Rev. 1967, 159 (1), 98. doi: 10.1103/PhysRev.159.98
36. [36]
  (36) Cleary, P.W. Appl. Math. Model 1998, 22 (12), 981. doi: 10.1016/S0307-904X(98)10031-8
37. [37]
  (37) Ryan, E. M.; Tartakovsky, A. M.; Amona, C. Comput. Phys. Commun. 2010, 181 (12), 2008. doi: 10.1016/j.cpc.2010.08.022
38. [38]
  (38) Wu,W.; Jiang, F. M. Mater. Charact. 2013, 80, 62. doi: 10.1016/j.matchar.2013.03.011
39. [39]
  (39) Wu,W.; Jiang, F. M.; Zeng, J. B. Acta Phys. -Chim. Sin. 2013,29 (11), 2361. [吴伟, 蒋方明, 曾建邦. 物理化学学报, 2013,29 (11), 2361.] doi: 10.3866/PKU.WHXB201309032.
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沈阳化工大学材料科学与工程学院沈阳 110142