基于纳米有机液体的高性能温差电池

doi:10.3866/PKU.WHXB201606281

摘要/Abstract

摘要：

传统液体温差电池较低的热电转换性能一直无法得到有效改善，亟需寻找新的热电转换机制来提升热电转换效率。本文采用分子动力学（MD）方法，数值模拟研究了不同温度下以不同配比的甘油-水为溶剂的氯化钠溶液在碳纳米管（CNT）内离子、分子分布情况。结果表明：离子、分子的分布受温度影响较大，近壁面净电荷、电势分布随温度升高出现明显的分层。根据模拟结果提出以CNT为电极材料，甘油氯化钠溶液或甘油水氯化钠溶液为电解质溶液组成温差电池。其热电转换性能远优于大多数温差电池，同时温度适用范围也显著增加。以多孔碳为电极材料，甘油氯化钠溶液为电解质溶液组成的热电转换装置实验验证了可行性。

关键词: 分子动力学, 温差电池, 碳纳米管, 低温能源利用, 热电转换

Abstract:

The thermoelectric performance of traditional thermogalvanic cells is relatively low and a more efficient conversion mechanism is required. In this paper, the distribution of glycerol/glycerin in an aqueous sodium chloride solution in a carbon nanotube (CNT) is investigated by molecular dynamics (MD) simulation. The distributions of ions, molecule net charge, and electrical potential of the system are markedly affected by temperature. We propose a novel nanofluid thermoelectric conversion method based on the CNT and glycerol/glycerin aqueous sodium chloride solution. The thermoelectric performance of the proposed system is much higher than that of most of current liquid thermogalvanic cells, and the application temperature range is also widened considerably. A preliminary thermal-to-electrical energy conversion experiment based on nanoporous carbon withmixtures of sodiumchloride and glycerol is also conducted to qualitatively verify the numerical results.

Key words: Molecular dynamics, Thermogalvanic cell, Carbon nanotube, Low-temperature energy utilization, Thermoelectric conversion

MSC2000:

O646

孙浩宇,濮金欢,唐桂华. 基于纳米有机液体的高性能温差电池[J]. 物理化学学报, 2016, 32(10): 2555-2562.

Hao-Yu SUN,Jin-Huan PU,Gui-Hua TANG. High-Performance Thermogalvanic Cell Based on Organic Nanofluids[J]. Acta Phys. -Chim. Sin., 2016, 32(10): 2555-2562.

参考文献

1	Heremans J. P. ; Dresselhaus M. S. ; Bell L. E. ; Morelli D. T Nat. Nanotech 2013, 8, 471.
2	Tritt T. M Annu. Rev. Mater. Res. 2011, 41, 433.
3	Snyder J. G. ; Toberer E. S Nat. Mater. 2008, 7, 105.
4	Bell L. E Science 2008, 321, 1457.
5	Poudel B. ; Hao Q. ; Ma Y. ; Lan Y. C. ; Minnich A. ; Yu B. ; Yan X. ; Wang D. Z. ; Muto A. ; Vashaee D. ; Chen X. Y. ; Liu J. M. ; Dresselhaus M. S. ; Chen G. ; Ren Z. F Science 2008, 320, 634.
6	Kongtragool B. ; Wongwises S Renew. Sust. Energy Rev 2003, 7, 131.
7	Kong X. O. ; Wang R. Z. ; Huang X. H Energ. Convers. Manage. 2004, 45, 433.
8	Kongtragool B. ; Wongwises S Renew. Energy 2007, 32, 547.
9	Thombare D. G. ; Verma S. K Renew. Sust. Energy Rev 2008, 12, 1.
10	Vining C. B Nat. Mater 2009, 8, 83.
11	Mancini T. ; Heller P. ; Butler B. ; Osborn B. ; Schiel W. ; Goldberg V. ; Buck R. ; Diver R. ; Andraka C. ; Moreno J ASME J. Sol. Energy 2003, 125, 135.
12	Kuzminskii Y. V. ; Zasukha V. A. ; Kuzminskaya G. Y J. Power Sources 1994, 52, 231.
13	Quickenden T. I. ; Mua Y J. Electrochem. Soc 1995, 142, 3985.
14	Bouty E J. Phys. 1880, 9, 229.
15	Debethune A ; J . ; Licht. T. S% Swendeman N J. Electrochem. Soc. 1959, 106, 616.
16	Gunawa A. ; Lin C. H. ; Buttry D. A. ; Mujica V. ; Taylor R. A. ; Prasher R. S. ; Phelan P. E Nano. Micro. Therm 2013, 17 (4), 304.
17	Quickenden T. I. ; Vernon C. F Sol. Energy 1986, 36, 63.
18	Kang T. J. ; Fang S. ; Kozlov M. E. ; Haines C. S. ; Li N. ; Kim Y. H. ; Chen Y. S. ; Baughman R. H Adv. Funct. Mater. 2012, 22, 477.
19	Yu Q. ; Punyamurtual V. K. ; Han A. ; Lim H J. Power Sources 2008, 183, 403.
20	Hu R. C. ; Cola B. A. ; Haram N. ; Barisci J. N. ; Lee S. ; Stoughton S. ; Wallace G. ; Too C. ; Thomas M. ; Gestos A. ; Cruz M. E. D. ; Ferraris J. P. ; Zakhidow A. A. ; Baughman R H. Nano Lett. 2010, 10, 838.
21	Chen X. ; Xu B. X. ; Liu L Appl. Mech. Rev. 2014, 66, 050803.
22	Xu B. X. ; Liu L. ; Lim H. ; Qiao Y. ; Chen X Nano Energy 2012, 1, 805.
23	Xu B. X. ; Yu Q. ; Park T. ; Tak M. ; Zhou Q. L. ; Chen X Energy Environ. Sci. 2011, 4, 3632.
24	Li Q. ; Yang D. F. ; Wang J. H. ; Wu Q. ; Liu Q. Z Acta Phys. -Chim. Sin 2016, 32 (3), 691.
24	李清; 杨登峰; 王建花; 武琪; 刘清芝. 物理化学学报, 2016, 32 (3), 691.
25	Shen Z. L. ; He G. H. ; Zhang N. ; Hao C Acta Phys. -Chim. Sin. 2015, 31 (6), 1025.
25	谌庄琳; 贺高红; 张宁; 郝策. 物理化学学报, 2015, 31 (6), 1025.
26	Plimpton S J. Comput. Phys 1995, 117, 1.
27	Xue Q. Z. ; Li W. Y J. University Petroleum 1999, 23 (4), 102.
27	薛庆忠; 李文瀛. 石油大学学报, 1999, 23 (4), 102.
28	Association G. P. Physical Properties of Glycerine and Its Solutions; Glycerine Producers' Association: New York 1963;p 17.
29	Zhang L. L. ; Zhao X. S Chem. Soc. Rev. 2009, 38, 2520.
30	Mua Y. ; Quickenden T. I J. Electrochem. Soc 1996, 143 (8), 2558.
31	Mann D. J. ; Halls M. D Phys. Rev. Lett. 2003, 90, 195503.
32	Zhu F. ; Schulten K Biophys. J 2003, 85, 236.

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