基于羟基化Janus碳纳米管的纳米流体导热特性

李康睿; 王军; 夏国栋

doi:10.7498/aps.74.20241657

摘要

碳纳米管本身所具有的卓越导热性能, 使得基于碳纳米管所制备的纳米流体也同样具有较高的热导率, 同时在碳纳米管表面添加官能团能够有效增强水/碳纳米管纳米流体的稳定性. 本文将羟基化碳纳米管构建成为Janus颗粒, 基于平衡分子动力学模拟方法, 计算了基于羟基化碳纳米管的纳米流体热导率, 并对其导热机理进行分析. 计算结果表明, 在基液吸附层密度增长、颗粒布朗运动增强以及界面热阻降低等因素的共同作用下, 基于羟基化碳纳米管的纳米流体具有比普通碳纳米管纳米流体更强的导热性能. 羟基化碳纳米管构建的Janus颗粒在基液中具备更强的布朗扩散能力, 因而可以进一步提高水/碳纳米管纳米流体的热导率. 本文揭示了基于羟基化Janus碳纳米管的纳米流体导热机理, 为新型传热工质制备提供参考.

关键词:

Abstract

The excellent thermal conductivity of the carbon nanotubes leads to the high thermal conductivity of the nanofluids prepared by carbon nanotubes. The addition of functional groups on the surface of the carbon nanotubes canimprove the stability of the water/CNT nanofluids. The excellent diffusion properties of the Janus particles result in the elevated thermal conductivity of the Janus nanofluids. In thiswork, hydroxylated single-walled carbon nanotube (SWCNT-OH) particles, as Janus particles, are constructed and a water/SWCNT-OH-Janus nanofluid model is proposed by introducing SWCNT-OH particles into a base fluid (water). By using equilibrium molecular dynamics simulations, the thermal conductivity of nanofluids is calculated. The mechanism of the enhanced thermal conductivity is investigated by analyzing the solid-like liquid layers formed by liquid molecules around particles, Brownian motion of CNT particles, and CNT/water interfacial thermal resistance. It can be concluded that the thermal conductivity of the nanofluids with SWCNT-OH particles can be enhanced compared with that of the nanofluids with normal SWCNT particles. The hydrogen bond between hydroxyl group and water molecules results in the adsorption of water molecules onto the surface of carbon nanotube. This process increases the density of the liquid adsorption layer on the CNT surface, thereby enhancing the effect of the solid-liquid layer. The hydroxyl groups on the CNT surface degrade the solid-liquid interfacial thermal resistance, which promotes the heat transfer within the nanofluids. Moreover, the hydroxyl groups also enhance the interaction between the CNT particles and the water molecules,leading to stronger Brownian motionof particles. The combination of these factors will be responsible for the enhancement thermal conductivity of the water/SWCNT-OH nanofluids.For SWCNT-OH-Janus nanofluids, the thermal conductivity can be further enhanced, owing to the strong Brownian motion of the Janus particles.

Keywords:

作者及机构信息

北京工业大学机械与能源工程学院, 传热与能源利用北京重点实验室, 北京　100124

通信作者: 王军, jwang@bjut.edu.cn

基金项目: 国家自然科学基金(批准号: 12472268)资助的课题.

Authors and contacts

Beijing Key Laboratory of Heat Transfer and Energy Conservation, College of Mechanical and Energy Engineering, Beijing University of Technology, Beijing 100124, China

Corresponding author: WANG Jun, jwang@bjut.edu.cn

Funds: Project supported by the National Natural Science Foundation of China (Grant No. 12472268).

文章全文

参考文献

[1]	Liu M S, Lin M C, Tsai C Y, Wang C C 2006 Int. J. Heat Mass Transf. 49 3028 Google Scholar
[2]	Choi S U S, Zhang Z G, Yu W, Lockwood F E, Grulke E A 2001 Appl. Phys. Lett. 79 2252 Google Scholar
[3]	Han X F, Lu L W, Yan S Y, Yang X H, Tian R, Zhao X Y 2021 J. Therm. Sci. 30 1581 Google Scholar
[4]	Ishii K, Ogiyama T, Fumoto K, Nishina Y 2024 Appl. Phys. Lett. 125 023104 Google Scholar
[5]	王军, 崔鑫, 夏国栋 2023 北京工业大学学报 49 1116 Google Scholar Wang J, Cui X, Xia G D 2023 J. Beijing Univ. Technol. 49 1116 Google Scholar
[6]	Xuan Y M, Li Q 2000 Int. J. Heat Mass Transf. 21 58 Google Scholar
[7]	Liu B, Liang W H, Luo Z M, Sarvar S, Fereidooni L, Kasaeian A 2024 Mol. Liq. 414 126052 Google Scholar
[8]	Xuan Y M, Duan H L, Li Q 2014 RSC Adv. 4 16206 Google Scholar
[9]	Rapp B, Hussam A 2023 J. Appl. Phys. 133 134302 Google Scholar
[10]	Dai J H, Zhai Y L, Li Z H, Wang H 2024 J. Mol. Liq. 400 124518 Google Scholar
[11]	Liu W W, Wang J, Xia G D, Li Z G 2023 Phys. Fluids 35 083316 Google Scholar
[12]	Liu W W, Cui J, Wang J, Xia G D, Li Z G 2023 Phys. Fluids 35 032004 Google Scholar
[13]	Yu W, Choi S U S 2004 J. Nanopart. Res. 6 355 Google Scholar
[14]	谢华清, 奚同庚, 王锦昌 2003 物理学报 52 1444 Google Scholar Xie H Q, Xi T G, Wang J C 2003 Acta Phys. Sin. 52 1444 Google Scholar
[15]	Xue L, Keblinski P, Phillpot S R, Choi S U S, Eastman J A 2004 Int. J. Heat Mass Transf. 47 4277 Google Scholar
[16]	张智奇, 钱胜, 王瑞金, 朱泽飞 2019 物理学报 68 054401 Google Scholar Zhang Z Q, Qian S, Wang R J, Zhu Z F 2019 Acta Phys. Sin. 68 054401 Google Scholar
[17]	Karthik V, Sahoo S, Pabi S K, Ghosh S 2013 Int. J. Therm. Sci. 64 53 Google Scholar
[18]	Cui W Z, Shen Z J, Yang J G, Wu S H 2015 Appl. Therm. Eng. 76 261 Google Scholar
[19]	李屹同, 沈谅平, 王浩, 汪汉斌 2013 物理学报 62 124401 Google Scholar Li YT, Shen L P, Wang H, Wang H B 2013 Acta Phys. Sin. 62 124401 Google Scholar
[20]	Lenin R, Joy P A, Bera C 2021 J. Mol. Liq. 338 116929 Google Scholar
[21]	刘旺旺, 张克学, 王军, 夏国栋 2024 物理学报 73 075101 Google Scholar Liu W W, Zhang K X, Wang J, Xia G D 2024 Acta Phys. Sin. 73 075101 Google Scholar
[22]	Roni M R H, Shahadat M R B, Morshed A M M 2021 Micro Nano Lett. 16 221 Google Scholar
[23]	Jabbari F, Rajabpour A, Saedodin S 2017 Chem. Eng. Sci. 174 67 Google Scholar
[24]	Cui W Z, Shen Z J, Yang J G, Wu S H, Bai M L 2014 RSC Adv. 4 55580 Google Scholar
[25]	Kamalvand M, Karami M 2013 Int. J. Therm. Sci. 65 189 Google Scholar
[26]	侯泉文, 曹炳阳, 过增元 2009 物理学报 58 7809 Google Scholar Hou Q W, Cao B Y, Guo Z Y 2009 Acta Phys. Sin. 58 7809 Google Scholar
[27]	Jabbari F, Rajabpour A, Saedodin S 2021 Microfluid. Nanofluid. 25 102 Google Scholar
[28]	Xing M B, Yu J L, Wang R X 2015 Appl. Therm. Eng. 87 344 Google Scholar
[29]	Li X K, Chen W J, Zou C J 2020 Powder Technol. 361 957 Google Scholar
[30]	陈文哲, 王霜, 翟玉玲, 李舟航 2023 化工进展 42 5700 Google Scholar Chen W Z, Wang S, Zhai Y L, Li Z H 2023 Chem. Ind. Eng. Prog. 42 5700 Google Scholar
[31]	Pang C W, Jung J, Kang Y T 2014 Int. J. Heat Mass Transf. 72 392 Google Scholar
[32]	Hou J M, Shao C, Huang L Z, Du J Y, Wang R J 2023 Powder Technol. 430 119005 Google Scholar
[33]	Zhou L, Zhu J W, Zhao Y F, Ma H H 2022 Int. J. Heat Mass Transf. 183 122124 Google Scholar
[34]	Rennhofer H, Zanghellini B 2021 Nanomaterials 11 1469 Google Scholar
[35]	Premalatha M, Jeevaraj A K S 2017 Part. Sci. Technol. 36 523 Google Scholar
[36]	Rathinavel S, Priyadharshini K, Panda D 2021 Mater. Sci. Eng. B 268 115095 Google Scholar
[37]	Zhang X, Zhang Y H, Yan Y R, Chen Z H 2022 Sol. Energy Mater. Sol. Cells 236 111546 Google Scholar
[38]	Cui X, Wang J, Xia G D 2022 Nanoscale 14 99 Google Scholar
[39]	Kobayashi Y, Arai N 2019 J. Electrochem. Soc. 166 B3223 Google Scholar
[40]	Sarkar S, Selvam R P 2007 J. Appl. Phys. 102 074302 Google Scholar
[41]	Tersoff J 1988 Phys. Rev. B 37 6991 Google Scholar
[42]	Rudyak V Y, Krasnolutskii S L 2017 Tech. Phys. 62 1456 Google Scholar
[43]	Huang J, Sang L X, Yang Q F, Wu Y T 2024 Sol. Energy Mater. Sol. Cells 277 113150 Google Scholar
[44]	Koo J, Kleinstreuer C 2004 J. Nanopart. Res. 6 577 Google Scholar
[45]	Zhang C Z, Puligheddu M, ZhangL F, Car R, Galli G 2023 J. Phys. Chem. B 127 7011 Google Scholar
[46]	Wang R J, Qian S, Zhang Z Q 2018 Int. J. Heat Mass Transf. 127 1138 Google Scholar

施引文献

图 1 水/CNT纳米流体系统模型图

Fig. 1. Simulation system of nanofluids with a CNT particle

下载: 全尺寸图片幻灯片

图 2 两种水/CNT纳米流体在不同羟基密度下的热导率

Fig. 2. Thermal conductivity of two water/CNT nanofluids with different hydroxyl densities.

下载: 全尺寸图片幻灯片

图 3 不同羟基密度下水/SWCNT-OH (a)和水/SWCNT-OH-Janus (b)纳米流体中氧-氧原子的径向分布函数

Fig. 3. RDF of oxygen–oxygen atoms for (a) Water/SWCNT-OH nanofluids and (b) Water/SWCNT-OH-Janus nanofluids with different hydroxyl density.

下载: 全尺寸图片幻灯片

图 4 不同羟基密度下水/SWCNT-OH (a)和水/SWCNT-OH-Janus (b)纳米流体中碳-氧原子的径向分布函数

Fig. 4. RDF of carbon-oxygen atoms for (a) Water/SWCNT-OH nanofluids and (b) Water/SWCNT-OH-Janus nanofluids with different hydroxyl density.

下载: 全尺寸图片幻灯片

图 5 两种水/CNT纳米流体在不同羟基密度下CNT颗粒与基液水之间的界面热阻

Fig. 5. Kapitza resistance between CNT nanoparticle and water with different hydroxyl densities.

下载: 全尺寸图片幻灯片

图 6 CNT颗粒固定和非固定情况下水/SWCNT-OH (a)和水/SWCNT-OH-Janus (b)纳米流体的热导率

Fig. 6. Comparison of the TCs for (a) Water/SWCNT-OH nanofluids and (b) Water/SWCNT-OH-Janus nanofluids under unfixed and fixed conditions.

下载: 全尺寸图片幻灯片

图 7 不同羟基密度下SWCNT-OH颗粒(a)和SWCNT-OH-Janus颗粒(b)在基液中的MSD

Fig. 7. MSD of SWCNT-OH (a) and SWCNT-OH-Janus (b) particles with different hydroxyl densityin base fluids.

下载: 全尺寸图片幻灯片

图 8 SWCNT-OH颗粒和SWCNT-OH-Janus颗粒在基液中的扩散系数

Fig. 8. Diffusion coefficient of SWCNT-OH and SWCNT-OH-Janus particles in base fluid.

下载: 全尺寸图片幻灯片

下载: 全尺寸图片幻灯片

表 1 亲疏水性不同的SWCNT-OH颗粒

Table 1. SWCNT-OH particles with different hydrophilicity.

颗粒类型 SWCNT-OH颗粒

羟基数量 0 8 16 24 32

羟基密度/% 0 5.3 10.6 16.0 21.3

示意图

下载: 导出CSV

表 2 亲疏水性不同的SWCNT-OH-Janus颗粒

Table 2. SWCNT-OH-Janus particles with different hydrophilicity.

颗粒类型 SWCNT-OH-Janus颗粒

羟基数量 0 4 8 12 16

羟基密度/% 0 5.3 10.6 16.0 21.3

示意图

下载: 导出CSV

[1]	Liu M S, Lin M C, Tsai C Y, Wang C C 2006 Int. J. Heat Mass Transf. 49 3028 Google Scholar
[2]	Choi S U S, Zhang Z G, Yu W, Lockwood F E, Grulke E A 2001 Appl. Phys. Lett. 79 2252 Google Scholar
[3]	Han X F, Lu L W, Yan S Y, Yang X H, Tian R, Zhao X Y 2021 J. Therm. Sci. 30 1581 Google Scholar
[4]	Ishii K, Ogiyama T, Fumoto K, Nishina Y 2024 Appl. Phys. Lett. 125 023104 Google Scholar
[5]	王军, 崔鑫, 夏国栋 2023 北京工业大学学报 49 1116 Google Scholar Wang J, Cui X, Xia G D 2023 J. Beijing Univ. Technol. 49 1116 Google Scholar
[6]	Xuan Y M, Li Q 2000 Int. J. Heat Mass Transf. 21 58 Google Scholar
[7]	Liu B, Liang W H, Luo Z M, Sarvar S, Fereidooni L, Kasaeian A 2024 Mol. Liq. 414 126052 Google Scholar
[8]	Xuan Y M, Duan H L, Li Q 2014 RSC Adv. 4 16206 Google Scholar
[9]	Rapp B, Hussam A 2023 J. Appl. Phys. 133 134302 Google Scholar
[10]	Dai J H, Zhai Y L, Li Z H, Wang H 2024 J. Mol. Liq. 400 124518 Google Scholar
[11]	Liu W W, Wang J, Xia G D, Li Z G 2023 Phys. Fluids 35 083316 Google Scholar
[12]	Liu W W, Cui J, Wang J, Xia G D, Li Z G 2023 Phys. Fluids 35 032004 Google Scholar
[13]	Yu W, Choi S U S 2004 J. Nanopart. Res. 6 355 Google Scholar
[14]	谢华清, 奚同庚, 王锦昌 2003 物理学报 52 1444 Google Scholar Xie H Q, Xi T G, Wang J C 2003 Acta Phys. Sin. 52 1444 Google Scholar
[15]	Xue L, Keblinski P, Phillpot S R, Choi S U S, Eastman J A 2004 Int. J. Heat Mass Transf. 47 4277 Google Scholar
[16]	张智奇, 钱胜, 王瑞金, 朱泽飞 2019 物理学报 68 054401 Google Scholar Zhang Z Q, Qian S, Wang R J, Zhu Z F 2019 Acta Phys. Sin. 68 054401 Google Scholar
[17]	Karthik V, Sahoo S, Pabi S K, Ghosh S 2013 Int. J. Therm. Sci. 64 53 Google Scholar
[18]	Cui W Z, Shen Z J, Yang J G, Wu S H 2015 Appl. Therm. Eng. 76 261 Google Scholar
[19]	李屹同, 沈谅平, 王浩, 汪汉斌 2013 物理学报 62 124401 Google Scholar Li YT, Shen L P, Wang H, Wang H B 2013 Acta Phys. Sin. 62 124401 Google Scholar
[20]	Lenin R, Joy P A, Bera C 2021 J. Mol. Liq. 338 116929 Google Scholar
[21]	刘旺旺, 张克学, 王军, 夏国栋 2024 物理学报 73 075101 Google Scholar Liu W W, Zhang K X, Wang J, Xia G D 2024 Acta Phys. Sin. 73 075101 Google Scholar
[22]	Roni M R H, Shahadat M R B, Morshed A M M 2021 Micro Nano Lett. 16 221 Google Scholar
[23]	Jabbari F, Rajabpour A, Saedodin S 2017 Chem. Eng. Sci. 174 67 Google Scholar
[24]	Cui W Z, Shen Z J, Yang J G, Wu S H, Bai M L 2014 RSC Adv. 4 55580 Google Scholar
[25]	Kamalvand M, Karami M 2013 Int. J. Therm. Sci. 65 189 Google Scholar
[26]	侯泉文, 曹炳阳, 过增元 2009 物理学报 58 7809 Google Scholar Hou Q W, Cao B Y, Guo Z Y 2009 Acta Phys. Sin. 58 7809 Google Scholar
[27]	Jabbari F, Rajabpour A, Saedodin S 2021 Microfluid. Nanofluid. 25 102 Google Scholar
[28]	Xing M B, Yu J L, Wang R X 2015 Appl. Therm. Eng. 87 344 Google Scholar
[29]	Li X K, Chen W J, Zou C J 2020 Powder Technol. 361 957 Google Scholar
[30]	陈文哲, 王霜, 翟玉玲, 李舟航 2023 化工进展 42 5700 Google Scholar Chen W Z, Wang S, Zhai Y L, Li Z H 2023 Chem. Ind. Eng. Prog. 42 5700 Google Scholar
[31]	Pang C W, Jung J, Kang Y T 2014 Int. J. Heat Mass Transf. 72 392 Google Scholar
[32]	Hou J M, Shao C, Huang L Z, Du J Y, Wang R J 2023 Powder Technol. 430 119005 Google Scholar
[33]	Zhou L, Zhu J W, Zhao Y F, Ma H H 2022 Int. J. Heat Mass Transf. 183 122124 Google Scholar
[34]	Rennhofer H, Zanghellini B 2021 Nanomaterials 11 1469 Google Scholar
[35]	Premalatha M, Jeevaraj A K S 2017 Part. Sci. Technol. 36 523 Google Scholar
[36]	Rathinavel S, Priyadharshini K, Panda D 2021 Mater. Sci. Eng. B 268 115095 Google Scholar
[37]	Zhang X, Zhang Y H, Yan Y R, Chen Z H 2022 Sol. Energy Mater. Sol. Cells 236 111546 Google Scholar
[38]	Cui X, Wang J, Xia G D 2022 Nanoscale 14 99 Google Scholar
[39]	Kobayashi Y, Arai N 2019 J. Electrochem. Soc. 166 B3223 Google Scholar
[40]	Sarkar S, Selvam R P 2007 J. Appl. Phys. 102 074302 Google Scholar
[41]	Tersoff J 1988 Phys. Rev. B 37 6991 Google Scholar
[42]	Rudyak V Y, Krasnolutskii S L 2017 Tech. Phys. 62 1456 Google Scholar
[43]	Huang J, Sang L X, Yang Q F, Wu Y T 2024 Sol. Energy Mater. Sol. Cells 277 113150 Google Scholar
[44]	Koo J, Kleinstreuer C 2004 J. Nanopart. Res. 6 577 Google Scholar
[45]	Zhang C Z, Puligheddu M, ZhangL F, Car R, Galli G 2023 J. Phys. Chem. B 127 7011 Google Scholar
[46]	Wang R J, Qian S, Zhang Z Q 2018 Int. J. Heat Mass Transf. 127 1138 Google Scholar

[1]	隋鹏翔. 颗粒尺寸对纳米流体自然对流模式影响的格子Boltzmann方法模拟. 物理学报, 2024, 73(23): 234702. doi: 10.7498/aps.73.20241332
[2]	秦成龙, 罗祥燕, 谢泉, 吴乔丹. 碳纳米管和碳化硅纳米管热导率的分子动力学研究. 物理学报, 2022, 71(3): 030202. doi: 10.7498/aps.71.20210969
[3]	张贝豪, 郑林. 倾斜多孔介质方腔内纳米流体自然对流的格子Boltzmann方法模拟. 物理学报, 2020, 69(16): 164401. doi: 10.7498/aps.69.20200308
[4]	张智奇, 钱胜, 王瑞金, 朱泽飞. 纳米颗粒聚集形态对纳米流体导热系数的影响. 物理学报, 2019, 68(5): 054401. doi: 10.7498/aps.68.20181740
[5]	王世伟, 朱朋哲, 李瑞. 界面羟基对碳纳米管摩擦行为和能量耗散的影响. 物理学报, 2018, 67(7): 076101. doi: 10.7498/aps.67.20180311
[6]	李瑞, 密俊霞. 界面接枝羟基对碳纳米管运动和摩擦行为影响的分子动力学模拟. 物理学报, 2017, 66(4): 046101. doi: 10.7498/aps.66.046101
[7]	何昱辰, 刘向军. 基于基液连续假设的大体系Cu-H2O纳米流体输运特性的模拟研究. 物理学报, 2015, 64(19): 196601. doi: 10.7498/aps.64.196601
[8]	杨成兵, 解辉, 刘朝. 锂离子进入碳纳米管端口速度的分子动力学模拟. 物理学报, 2014, 63(20): 200508. doi: 10.7498/aps.63.200508
[9]	李琳, 王暄, 孙伟峰, 雷清泉. 聚乙烯/银纳米颗粒复合物的分子动力学模拟研究. 物理学报, 2013, 62(10): 106201. doi: 10.7498/aps.62.106201
[10]	孙伟峰, 王暄. 聚酰亚胺/铜纳米颗粒复合物的分子动力学模拟研究. 物理学报, 2013, 62(18): 186202. doi: 10.7498/aps.62.186202
[11]	陈青, 孙民华. 分子动力学模拟尺寸对纳米Cu颗粒等温晶化过程的影响. 物理学报, 2013, 62(3): 036101. doi: 10.7498/aps.62.036101
[12]	郭亚丽, 徐鹤函, 沈胜强, 魏兰. 利用格子Boltzmann方法模拟矩形腔内纳米流体Raleigh-Benard对流. 物理学报, 2013, 62(14): 144704. doi: 10.7498/aps.62.144704
[13]	李明林, 林凡, 陈越. 碳纳米锥力学特性的分子动力学研究. 物理学报, 2013, 62(1): 016102. doi: 10.7498/aps.62.016102
[14]	陈青, 王淑英, 孙民华. 纳米Cu颗粒等温晶化过程的分子动力学模拟研究. 物理学报, 2012, 61(14): 146101. doi: 10.7498/aps.61.146101
[15]	左学云, 李中秋, 王伟, 孟利军, 张凯旺, 钟建新. 碳纳米管熔接金电极的分子动力学模拟. 物理学报, 2011, 60(6): 066103. doi: 10.7498/aps.60.066103
[16]	张凯旺, 孟利军, 李俊, 刘文亮, 唐翌, 钟建新. 碳纳米管内金纳米线的结构与热稳定性. 物理学报, 2008, 57(7): 4347-4355. doi: 10.7498/aps.57.4347
[17]	李俊, 张凯旺, 孟利军, 刘文亮, 钟建新. 碳纳米管表面金纳米颗粒的形成与结构转变. 物理学报, 2008, 57(1): 382-386. doi: 10.7498/aps.57.382
[18]	袁剑辉, 袁晓博. 单壁碳纳米管弹性性质的羟基接枝效应. 物理学报, 2008, 57(6): 3666-3673. doi: 10.7498/aps.57.3666
[19]	孟利军, 张凯旺, 钟建新. 硅纳米颗粒在碳纳米管表面生长的分子动力学模拟. 物理学报, 2007, 56(2): 1009-1013. doi: 10.7498/aps.56.1009
[20]	李瑞, 胡元中, 王慧, 张宇军. 单壁碳纳米管在石墨基底上运动的分子动力学模拟. 物理学报, 2006, 55(10): 5455-5459. doi: 10.7498/aps.55.5455

计量

文章访问数: 803
PDF下载量: 37
被引次数: 0

姓名
邮箱
手机号码
标题
留言内容
验证码

搜索

留言板

基于羟基化Janus碳纳米管的纳米流体导热特性