Influence of mesoporous size and structure on heat transport characteristics of mixed nitrate

He Zhuo-Ya; Yang Qi-Rong; Li Zhao-Ying; Mao Rui; Wang Li-Wei; Yan Chen-Xuan

doi:10.7498/aps.71.20211276

Abstract

Molecular dynamics method is used to simulate the influence of the mesopore size and structure on the heat transport characteristics of the mixed nitrate. The Material Studio software is used to establish the mixed nitrate models of different scales and two structures, and the NaNO₃-KNO₃ models of different proportions that reach the eutectic state. By calculating the models and sorting out the calculation results, the phase transition of mixed nitrates on a nanometer scale is calculated and the micro-mechanism of heat transport characteristics is analyzed. The results show that the phase transition temperature of the solar salt first increases and then decreases with the increase of the nanopore size, and finally is consistent with the melting point on a macro scale. The proportion of cations has a great influence on the phase transition temperature of mixed nitrate, and the nanowire structures also change the phase transition temperature of nitrate. The bulk thermal expansion coefficient of nitrate decreases with the increase of mesoporous size, increases with the increase of NaNO₃ content, and changes with the mesoporous structure. The enhancement of the interaction between ions will increase the thermal conductivity, but it will not have much effect on the specific heat capacity at a constant pressure.

Keywords:

Authors and contacts

College of Mechanical and Electrical Engineering, Qingdao University, Qingdao 266071, China

Corresponding author: Yang Qi-Rong, luyingyi125@163.com

Funds: Project supported by the National Natural Science Foundation of China (Grant No. 51701102)

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References

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Cited By

图 1 NaNO₃和KNO₃的单晶胞

Figure 1. NaNO₃ and KNO₃ single crystal cells.

DownLoad: Full-Size Img PowerPoint

图 2 混合硝酸盐模型　(a) w (NaNO₃)∶w (KNO₃) = 4∶6混合硝酸盐; (b) w (NaNO₃) ∶w (KNO₃) = 5∶5混合硝酸盐; (c) w (NaNO₃) ∶w (KNO₃) = 9∶1混合硝酸盐; (d) w (NaNO₃)∶w (KNO₃) = 6∶4太阳盐; (e) w(NaNO₃)∶w (KNO₃) = 6∶4异结构太阳盐

Figure 2. Mixed nitrate model: (a) w (NaNO₃)∶w (KNO₃) = 4∶6 mixed nitrate; (b) w (NaNO₃)∶w (KNO₃) = 5∶5 mixed nitrate; (c) w (NaNO₃)∶w (KNO₃) = 9∶1 mixed nitrate; (d) w (NaNO₃)∶w (KNO₃) = 6∶4 solar salt; (e) w (NaNO₃)∶w (KNO₃) = 6∶4 heterogeneous solar salts.

DownLoad: Full-Size Img PowerPoint

图 3 不同温度下离子之间的径向分布函数　(a) w(K⁺)-w(Na⁺); (b) w(K⁺)-w(N^–); (c) w(Na⁺)-w(N^–)

Figure 3. Radial distribution function of ions at different temperatures: (a) w(K⁺)-w(Na⁺); (b) w(K⁺)-w(N^–); (c) w(Na⁺)-w(N^–).

DownLoad: Full-Size Img PowerPoint

图 4 不同尺度下离子之间的径向分布函数和相互作用能　(a) n(K⁺)-n(Na⁺); (b) n(K⁺)-n(N^–); (c) n(Na⁺)-n(N^–); (d)相互作用能

Figure 4. Radial distribution function and interaction energy of ions at different scales: (a) n(K⁺)-n(Na⁺); (b) n(K⁺)-n(N^–); (c) n(Na⁺)-n(N^–); (d) interaction energy.

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图 5 不同比例下离子之间的径向分布函数和相互作用能(w(NaNO₃):w(KNO₃))　(a) w(K⁺)-w(Na⁺); (b) w(K⁺)-w(N^–); (c) w(Na⁺)-w(N^–); (d)相互作用能

Figure 5. Radial distribution function and interaction energy of ions at different proportions (w(NaNO₃):w(KNO₃)): (a) w(K⁺)-w(Na⁺); (b) w(K⁺)-w(N^–); (c) w(Na⁺)-w(N^–); (d) interaction energy.

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图 6 两种结构下离子之间的径向分布函数和相互作用能　(a) n(K⁺)-n(Na⁺); (b) n(K⁺)-n(N^–); (c) n(Na⁺)-n(N^–); (d)相互作用能

Figure 6. Radial distribution function and interaction energy of ions at two structures: (a) n(K⁺)-n(Na⁺); (b) n(K⁺)-n(N^–); (c) n(Na⁺)-n(N^–); (d) interaction energy.

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图 7 离子数为2760的太阳盐的均方位移和自扩散系数　(a)均方位移; (b)自扩散系数

Figure 7. Mean square displacement and self diffusion coefficient of solar salt with ion number of 2760: (a) Mean square displacement; (b) self diffusion coefficient.

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图 8 不同尺度下太阳盐的体热膨胀系数和体积　(a)体热膨胀系数; (b)体积

Figure 8. Thermal expansion coefficient and volume of solar salts at different scales: (a) Thermal expansion coefficient; (b) volume.

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图 9 不同比例下太阳盐的体热膨胀系数和体积(w(Na⁺)∶w(K⁺))　(a)体热膨胀系数; (b)体积

Figure 9. Thermal expansion coefficient and volume of solar salts at different proportions (w(Na⁺)∶w(K⁺)): (a) Thermal expansion coefficient; (b) volume.

DownLoad: Full-Size Img PowerPoint

图 10 两种结构下太阳盐的体热膨胀系数和体积　(a)体热膨胀系数; (b)体积

Figure 10. Thermal expansion coefficient and volume of solar salts at two structures: (a) Thermal expansion coefficient; (b) volume.

DownLoad: Full-Size Img PowerPoint

图 11 不同尺度下太阳盐导热率

Figure 11. Thermal conductivity of solar salts at different scales.

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图 12 不同比例下混合硝酸盐导热率

Figure 12. Thermal conductivity of mixed nitrates at different ratios.

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图 13 不同尺度下太阳盐定压比热容

Figure 13. Fixed-pressure specific heat capacity of solar salts at different scales.

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图 14 不同比例(w(Na⁺)∶w(K⁺))下混合硝酸盐定压比热容

Figure 14. Fixed-pressure specific heat capacity of mixed nitrate at different ratios (w(Na⁺)∶w(K⁺)).

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表 1 太阳盐($w({\rm NaNO_3}): w({\rm KNO_3}) = 6:4$)中NaNO₃和KNO₃的离子数

Table 1. Ion numbers of NaNO₃ and KNO₃ in solar salts ($w({\rm NaNO_3}): w({\rm KNO_3}) = 6: 4$)

离子数种类 Model size/nm
Na⁺ K⁺ N^– O^2–

460 60 32 92 276 5
920 120 64 184 552 5
1380 180 96 276 828 8
1840 240 128 368 1104 8
2300 300 160 460 1380 10
2760 360 192 552 1656 10

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表 2 混合硝酸盐中NaNO₃和KNO₃的离子数(总离子数为460)

Table 2. Ion numbers of NaNO₃ and KNO₃ in mixed nitrate (total number of ions is 460).

$w({\rm NaNO_3}): w({\rm KNO_3})$ 种类 Model
size/nm
Na⁺ K⁺ N^– O^2–

4∶6 41 51 92 276 5
5∶5 49 43 92 276 5
6∶4 60 32 92 276 5
9∶1 84 8 92 276 5

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表 3 不同尺度下太阳盐的相变温度

Table 3. Phase transition temperature of solar salts at different scales.

离子数
460 920 1380 1840 2300 2760 5520

温度/K 493 493 503 518 508 492 493

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表 4 不同比例的混合硝酸盐的相变温度

Table 4. Phase transition temperature of mixed nitrates at different proportions

w(NaNO₃)∶w(KNO₃)
4∶6 5∶5 6∶4 9∶1

温度/K 493 488 493 548

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表 5 纳米线结构太阳盐的相变温度

Table 5. Phase transition temperature of nanostructured solar salts.

离子数
460 920

温度/K 528 548

DownLoad: CSV

表 6 两种结构下太阳盐导热率

Table 6. Thermal conductivity of solar salts at two structures.

离子数
460-
纳米孔 920-
纳米孔 460-
纳米线 920-
纳米线

导热率/(W·m^–1·K^–1) 0.46 0.63 0.99 1.98

DownLoad: CSV

[1]	Kannan N, Vakeesan D 2016 Renew. Sust. Energy Rev. 62 1092 Google Scholar
[2]	Awad A, Navarro H, Ding Y L 2018 Renew. Energy 120 275 Google Scholar
[3]	Chieruzzia M, Gian F. C, Miliozzi A 2017 Sol. Energy Mater. Sol. Cells 167 60 Google Scholar
[4]	Zhang Y, Li J L, Gao L 2020 Sol. Energy Mater. Sol. Cells 216 110727 Google Scholar
[5]	Han C J, Gu H Z, Zhang M J 2020 Sol. Energy Mater. Sol. Cells 217 110697 Google Scholar
[6]	Deng Y, Qian T T, Guan W M 2017 J. Mater. Sci. Technol. 33 198 Google Scholar
[7]	Rena Y, Lia P 2019 Sol. Energy Mater. Sol. Cells 200 110005 Google Scholar
[8]	尹辉斌, 王文豪, 陈昌杰 2017 广东化工 22 33 Google Scholar Yin H B, Wang W H, Chen C J 2017 Guangdong Chemical 22 33 Google Scholar
[9]	李进, 王峰, 张世广, 吴玉庭 2020 华电技术 42 17 Google Scholar Li J, Wang F, Chang S G, Wu Y T 2020 Huadian Technologies 42 17 Google Scholar
[10]	李彦, 李鹏, 朱群志, 余杨敏 2018 硅酸盐学报 46 625 Google Scholar Li Y, Li P, Zhu Q Z, Yu Y Y 2018 Journal of Silicate 46 625 Google Scholar
[11]	冯妍卉, 冯黛丽, 张欣欣 2019 介孔复合材料的相变及热输运特性 (北京: 科学出版社) 第5−138页 Feng Y H, Feng D L, Zhang X X 2019 Phase Transition and Thermal Transport Properties of Mesoporous Composite (Beijing: Science Press) pp5−138 (in Chinese)
[12]	袁思伟, 冯妍卉, 王鑫, 张欣欣 2014 物理学报 63 014402 Google Scholar Yuan S Y, Feng Y H, Wang X, Zhang X X 2014 Acta Phys. Sin. 63 014402 Google Scholar
[13]	Bore M T, Pham H N, Switzer E E 2005 J. Phys. Chem. B 109 2873 Google Scholar
[14]	Zhang J R, Feng Y H, Yuan H B 2015 Comput. Mater. Sci. 109 300 Google Scholar
[15]	Wang L P, Sui J, Zhai M 2015 J. Phys. Chem. C 119 18697 Google Scholar
[16]	赵亚溥 2012 表面与界面物理力学 (北京: 科学出版社) 第212−220页 Zhao Y P 2012 Physical Mechanics of Surfaces and Interfaces (Beijing: Science Press) pp212−220 (in Chinese)
[17]	李亚琼, 梁凯彦, 王静静, 黄秀兵 2020 工程科学学报 42 1229 Google Scholar Li Y Q, Liang K Y, Wang J J, Huang X B 2020 J. Eng. Sci. 42 1229 Google Scholar
[18]	Min X, Fang M H, Huang Z H 2015 Sci. Rep. 5 12964 Google Scholar
[19]	Gao J K, Tao W W, Chen D 2018 Nanomaterials 8 385 Google Scholar
[20]	Sirota E B 2007 Macromolecules 40 1043 Google Scholar
[21]	冯黛丽, 冯妍卉, 张欣欣 2013 物理学报 62 083602 Google Scholar Feng D L, Feng Y H, Zhang X X 2013 Acta Phys. Sin. 62 083602 Google Scholar
[22]	Asegun H, Chen G 2008 Phys. Rev. Lett. 101 235502 Google Scholar
[23]	黄丛亮, 冯黛丽, 张欣欣, 李静, 王戈, 侴爱辉 2013 物理学报 62 026501 Google Scholar Huang C L, Feng Y H, Zhang X X, Li J, Wang G, Chou A H 2013 Acta Phys. Sin. 62 026501 Google Scholar
[24]	Ni H O, Wu J, Sun Z 2019 Chem. Eng. J. 377 120029 Google Scholar
[25]	Elena N, Anabel P, Tomos H 2017 Energy Stor. Sci. Tech. 6 688
[26]	吴玉庭, 王涛, 马重芳 2012 太阳能学报 33 148 Google Scholar Wu Y T, Wang T, Ma C F 2012 J. Sol. Energy 33 148 Google Scholar
[27]	官云许, 杨启容, 何卓亚, 王力伟 2021 功能材料 52 2153 Google Scholar Guan Y X, Yang Q R, He Z Y, Wang L W 2021 Funct. Mater. 52 2153 Google Scholar
[28]	李成祥, 孟庆元, 杨立军 2008 哈尔滨工业大学学报 40 705 Google Scholar Li C X, Meng Q Y, Yang L J 2008 Journal of Harbin Institute of Technology 40 705 Google Scholar
[29]	Pan G, Ding J, Wang W L 2016 Int. J. Heat Mass Transf. 103 417 Google Scholar
[30]	宫薛菲, 杨启容, 姚尔人, 刘亭 2020 功能材料 51 1214 Google Scholar Gong X F, Yang Q R, Yao E R, L T 2020 Funct. Mater. 51 1214 Google Scholar
[31]	Jayaraman S, Thompson A P, von Lilienfeld O Anatole 2010 Ind. Eng. Chem. Res. 49 559 Google Scholar
[32]	Anagnostopoulos A, Alexiadis A, Ding Y 2019 Sol. Energy Mater. Sol. Cells 200 109897 Google Scholar
[33]	倪海鸥, 孙泽, 路贵民 2017 储能科学与技术 6 669 Google Scholar Ni H O, Sun Z, Lu G M 2017 Energy Stor. Mater. 6 669 Google Scholar
[34]	车德勇, 沈辉, 蒋文强 2015 无机盐工业 47 30 Che D Y, Shen H, Jiang W Q 2015 Inorganic salt industry 47 30
[35]	Couchman P R, Jesser W A 1977 Nature 269 481 Google Scholar
[36]	David T B, Lereah Y, Deutscher G 1995 Philos. Mag. A 71 1135 Google Scholar
[37]	Reiss H, Wilson I B 1948 J. Colloid Sci. 3 551 Google Scholar
[38]	王海龙, 王秀喜, 梁海弋 2005 金属学报 41 568 Google Scholar Wang H L, Wang X X, Liang H Y 2005 J. Metal Sci. 41 568 Google Scholar
[39]	姜小宝 2013 博士学位论文 (长春: 吉林大学) Jiang X B 2013 Ph. D. Dissertation (Changchun: Jilin University) (in Chinese)
[40]	Sememchenko V K 1961 Surface Phenomena in Metals and Alloys (Oxford Pergamon) pp2−81
[41]	温元凯, 李振民 1978 科学通报 23 225 Google Scholar Wen Y K 1978 Chin. Sci. Bull. 23 225 Google Scholar
[42]	Lonappan M 1955 Proceedings of the Indian Academy of Sciences-Section A 41 239 Google Scholar
[43]	张景胤 2017 硕士学位论文 (北京: 华北电力大学) Zhang J Y 2017 M. S. Thesis (Beijing: North China Electric Power University) (in Chinese)
[44]	Kenisarin M 2010 Renew. Sust. Energ. Rev. 14 955 Google Scholar
[45]	李杨 2018 硕士学位论文 (郑州: 郑州大学) Li Y 2018 M. S. Thesis (Zhengzhou: Zhengzhou University) (in Chinese)
[46]	王长宝 2013 硕士学位论文 (北京: 北京工业大学) Wang C B 2013 M. S. Thesis (Beijing: Beijing University of Technology) (in Chinese)

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Vol. 71, Issue 3 - 2022-02-05

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