介孔材料界面效应对混合硝酸盐复合相变材料热输运特性的影响

闫晨宣; 杨启容; 李昭莹; 马爽; 毛蕊; 贲昊玺

doi:10.13801/j.cnki.fhclxb.20230511.003

介孔材料界面效应对混合硝酸盐复合相变材料热输运特性的影响

doi: 10.13801/j.cnki.fhclxb.20230511.003

闫晨宣^{1, 2},
杨启容^1, ,,
李昭莹^{1, 2, 3},
马爽¹,
毛蕊¹,
贲昊玺²

1.
青岛大学　机电工程学院，青岛 266071
2.
青岛大学　生物多糖纤维成形与生态纺织国家重点实验室，青岛 266071
3.
中国科学院青岛生物能源与过程研究所，青岛 266101

基金项目: 青岛大学青年卓越科研启动经费(QDPYHT-5-065)

详细信息

通讯作者:
杨启容，博士，教授，硕士生导师，研究方向为储能与储热技术　E-mail: luyingyi125@163.com

中图分类号: TB332
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出版历程
- 收稿日期: 2023-03-08
- 修回日期: 2023-04-24
- 录用日期: 2023-05-04
- 网络出版日期: 2023-05-12
- 刊出日期: 2024-01-01

Influence of interfacial effect of mesoporous materials on heat transport characteristics of mixed nitrate composite phase change materials

YAN Chenxuan^{1, 2},
YANG Qirong^{1
, ,},
LI Zhaoying^{1, 2, 3},
MA Shuang¹,
MAO Rui¹,
BEN Haoxi²

1.
College of Mechanical and Electrical Engineering, Qingdao University, Qingdao 266071, China
2.
State Key Laboratory of Bio-fibers and Eco-textiles, Qingdao University, Qingdao 266071, China
3.
Key Laboratory of Biofuels, Qingdao Institute of Bioenergy and Bioprocess Technology, Chinese Academy of Sciences, Qingdao 266101, China

Funds: Qingdao University Youth Outstanding Scientific Research Fund (QDPYHT-5-065)

摘要

摘要: 随着化石燃料的快速消耗，能源安全、气候变化问题日益突出，清洁、可持续能源发展技术及储能技术的研究成为热点。本文采用分子动力学模拟和实验研究相结合的方式，展开界面效应对混合硝酸盐复合相变材料(CPCM)热输运特性的影响研究。首先分别采用激光导热仪和差示扫描量热仪测试了CPCM的热导率和比热容。然后使用Materials Studio软件建立共晶状态下不同NaNO₃和KNO₃配比、不同骨架的CPCM模型，对其热导率和定压比热进行分子动力学模拟计算，通过径向分布函数、界面结合能和体热膨胀系数的变化分析了实验结果的内在机制，进而深入分析了界面效应与混合硝酸盐配比对热物性影响的竞争关系。结果表明：NaNO₃与KNO₃质量比为4∶6时离子间相互作用弱于其他配比，界面结合能最大，热导率最大。界面结合能的增加对热导率的增强强于离子间相互作用的减弱对热导率的削弱，界面效应在CPCM热导率的变化中占主导地位；CPCM定压比热受离子对比例变化及骨架材料变化的影响，界面结合能及离子间相互作用对定压比热没有明显影响。
- 介孔 /
- 界面效应 /
- 离子间相互作用 /
- 热输运特性 /
- 竞争关系 /
- 混合硝酸盐复合相变材料
Abstract: With the rapid consumption of fossil fuels, the issues of energy security and climate change are becoming increasingly prominent. The research of clean and sustainable energy development technology and energy storage technology has become a hot topic. By combining molecular dynamics simulation and experimental research, the influence of interface effects on the heat transport characteristics of mixed nitrate composite phase change materials (CPCM) was studied. Firstly, the thermal conductivity and specific heat capacity of CPCM were measured by laser thermal conductivity meter and differential scanning calorimeter respectively. Then Materials Studio software was used to establish the models of composite phase change materials with different NaNO₃ and KNO₃ ratios in eutectic states and different skeletons and the molecular dynamics simulation calculation of its thermal conductivity and specific heat at constant pressure was carried out. The internal mechanism of the experimental results was analyzed through the changes in radial distribution function, interface binding energy, and bulk thermal expansion coefficient, and then the competitive relationship between the interface effect and the mixed nitrate ratio on the thermal properties was further analyzed. The results show that when the mass ratio of NaNO₃ and KNO₃ is 4∶6, the interaction between ions is weaker than other ratios, and the interface binding energy and thermal conductivity are the largest. An increase in interfacial binding energy enhances the thermal conductivity more strongly than a decrease in the interaction between ions weakens the thermal conductivity, the interfacial effect plays a dominant role in the change in the thermal conductivity of CPCM. The specific heat of CPCM at constant pressure is affected by the change of ratio and skeleton material, interfacial binding energy and ionic interaction have no obvious effect on specific heat at constant pressure.
- mesoporous /
- interface effect /
- interaction between ions /
- heat transport characteristics /
- competitive relationship /
- mixed nitrate composite phase change materials

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图 1 混合硝酸盐复合相变材料(CPCM)制备过程：(a) 混合硝酸盐/多孔铝硅酸盐陶瓷CPCM；(b) 混合硝酸盐/多孔骨架CPCM

Figure 1. Preparation of mixed nitrate composite phase change material (CPCM): (a) Mixed nitrate/porous aluminosilicate ceramic CPCM; (b) Mixed nitrate/porous skeleton CPCM

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图 2 混合硝酸盐CPCM的TEM图像：(a) [质量比w(NaNO₃∶KNO₃)=4∶6]/陶瓷；(b) [w(NaNO₃∶KNO₃)=4∶6]/Al₂O₃

Figure 2. TEM images of mixed nitrate CPCM: (a) [Mass ratio w(NaNO₃∶KNO₃)=4∶6]/ceramic; (b) [w(NaNO₃∶KNO₃)=4∶6]/Al₂O₃

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图 3 (a) KNO₃和NaNO₃的单晶胞模型；(b) Al₂O₃和SiO₂的单晶胞模型

Figure 3. (a) KNO₃ and NaNO₃ single cell models; (b) Al₂O₃ and SiO₂ single cell models

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图 4 不同KNO₃和NaNO₃的质量比下建立的混合硝酸盐复合相变材料模型

Figure 4. Models of mixed nitrate composite phase change materials were established with different mass ratios of KNO₃ and NaNO₃

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图 5 混合硝酸盐CPCM的热导率

Figure 5. Thermal conductivity of mixed nitrate CPCM

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图 6 NaNO₃∶KNO₃=4∶6的混合硝酸盐/Al₂O₃CPCM的DSC测试

Figure 6. DSC test of NaNO₃∶KNO₃=4∶6 mixed nitrate/Al₂O₃ CPCM

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图 7 混合硝酸盐复合相变材料定压比热实验：(a)固态比热；(b)液态比热；

Figure 7. Experiment on specific heat of mixed nitrate composite phase change materials at constant pressure: (a) Solid specific heat; (b) Liquid specific heat

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图 8 陶瓷材料界面下离子之间的径向分布函数g(r)：(a) K⁺-Na⁺；(b) K⁺-N⁻；(c) Na⁺-N⁻；(d) K⁺-Al³⁺；(e) K⁺-Si⁴⁺；(f) Na⁺-Al³⁺；(g) Na⁺-Si⁴⁺

Figure 8. Radial distribution function g(r) between ions at the interface of ceramic materials: (a) K⁺-Na⁺; (b) K⁺-N⁻; (c) Na⁺-N⁻; (d) K⁺-Al³⁺; (e) K⁺-Si⁴⁺; (f) Na⁺-Al³⁺; (g) Na⁺-Si⁴⁺

r—Radius

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图 9 Al₂O₃介孔材料界面下离子之间的径向分布函数：(a) K⁺-Na⁺；(b) K⁺-N⁻；(c) Na⁺-N⁻；(d) K⁺-Al³⁺；(e) Na⁺-Al³⁺

Figure 9. Radial distribution function between ions at the interface of Al₂O₃ mesoporous material: (a) K⁺-Na⁺; (b) K⁺-N⁻; (c) Na⁺-N⁻; (d) K⁺-Al³⁺; (e) Na⁺-Al³⁺

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图 10 SiO₂介孔材料界面下离子之间的径向分布函数：(a) K⁺-Na⁺；(b) K⁺-N⁻；(c) Na⁺-N⁻；(d) K⁺-Si⁴⁺；(e) Na⁺-Si⁴⁺

Figure 10. Radial distribution function between ions at the interface of SiO₂ mesoporous materials:(a) K⁺-Na⁺; (b) K⁺-N⁻; (c) Na⁺-N⁻; (d) K⁺-Si⁴⁺; (e) Na⁺-Si⁴⁺

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图 11 混合硝酸盐CPCM界面结合能

Figure 11. Interfacial binding energy of mixed nitrate CPCM

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图 12 不同骨架下混合硝酸盐CPCM体热膨胀系数和体积：(a) SiO₂骨架；(b) Al₂O₃骨架；(c) 陶瓷骨架；(d) 体积

Figure 12. Coefficient of thermal expansion and volume of mixed nitrate CPCM under different skeletons: (a) SiO₂; (b) Al₂O₃; (c) Ceramic; (d) Volume

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图 13 不同骨架下混合硝酸盐CPCM热导率：(a) SiO₂骨架；(b) Al₂O₃骨架；(c) 陶瓷骨架

Figure 13. Thermal conductivity of mixed nitrate CPCM under different skeletons: (a) SiO₂; (b) Al₂O₃; (c) Ceramic

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图 14 不同骨架下混合硝酸盐CPCM定压比热容：(a) Al₂O₃骨架；(b) SiO₂骨架；(c) 陶瓷骨架

Figure 14. Specific heat capacity at constant pressure of mixed nitrate CPCM under different skeletons: (a) Al₂O₃; (b) SiO₂; (c) Ceramic

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图 15 不同骨架下混合硝酸盐CPCM定压比热：(a) 熔化前SiO₂骨架；(b) 熔化后SiO₂骨架；(c) 熔化前陶瓷骨架；(d) 熔化后陶瓷骨架；(e) 熔化前Al₂O₃骨架；(f) 熔化后Al₂O₃骨架

Figure 15. Specific heat at constant pressure of mixed nitrate CPCM under different skeletons: (a) SiO₂ skeleton before melting; (b) SiO₂ skeleton after melting; (c) Ceramic skeleton before melting; (d) Ceramic skeleton after melting; (e) Al₂O₃ skeleton before melting; (f) Al₂O₃ skeleton after melting

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表 1 材料信息

Table 1. Material information

Materials	Manufacturers	Purity
KNO₃	Sinopharm Chemical Reagent CO., LTD.	Analytical purity
NaNO₃	Sinopharm Chemical Reagent CO., LTD.	Analytical purity
Al₂O₃	Sinopharm Chemical Reagent CO., LTD.	Analytical purity
Al(OH)₃	Tianjin Damao Chemical Reagent Factory	Analytical purity
Diatomite	Tianjin Damao Chemical Reagent Factory	Analytical purity
Citrin	Shanghai AIbi Chemical Reagent CO., LTD.	99.5%
Gelatin	Tianjin Bodi Chemical CO., LTD.	99.5%
SBA-15	Beijing Solaibao Technology CO., LTD.	100%Si
Anhydrous ethanol	Sinopharm Chemical Reagent CO., LTD.	99.5%
Note: SBA-15—SiO₂ molecular sieve.

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表 2 混合硝酸盐复合相变材料离子数

Table 2. Ions of mixed nitrate composite phase change material

CPCM	Nitrate ions			Skeleton molecule		Scale/nm
CPCM	Na⁺	K⁺	NO₃⁻	Al₂O₃	SiO₂	Scale/nm
[w(NaNO₃∶KNO₃)=6∶4]/Al₂O₃	180	101	281	287	0	6-7
[w(NaNO₃∶KNO₃)=6∶4]/SiO₂	180	101	281	0	473	6-7
[w(NaNO₃∶KNO₃)=6∶4]/ceramic	180	101	281	77	363	6-7
[w(NaNO₃∶KNO₃)=5∶5]/Al₂O₃	151	127	278	294	0	6-7
[w(NaNO₃∶KNO₃)=5∶5]/SiO₂	151	127	278	0	473	6-7
[w(NaNO₃∶KNO₃)=5∶5]/ceramic	151	127	278	77	363	6-7
[w(NaNO₃∶KNO₃)=4∶6]/Al₂O₃	126	159	285	308	0	6-7
[w(NaNO₃∶KNO₃)=4∶6]/SiO₂	126	159	285	0	495	6-7
[w(NaNO₃∶KNO₃)=4∶6]/ceramic	126	159	285	77	363	6-7
[w(NaNO₃∶KNO₃)=9∶1]/Al₂O₃	265	25	290	287	0	6-7
[w(NaNO₃∶KNO₃)=9∶1]/SiO₂	265	25	290	0	462	6-7
[w(NaNO₃∶KNO₃)=9∶1]/ceramic	265	25	290	70	330	6-7

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表 3 混合硝酸盐CPCM熔化前后比热

Table 3. Specific heat of mixed nitrate CPCM before and after melting

CPCM	Specific heat of solid state/ (J·g⁻¹·K⁻¹)	Specific heat of liquid/ (J·g⁻¹·K⁻¹)
[w(NaNO₃∶KNO₃)=6∶4]/Al₂O₃	1.15568	1.4600
[w(NaNO₃∶KNO₃)=6∶4]/SiO₂	0.97800	1.2940
[w(NaNO₃∶KNO₃)=6∶4]/ceramic	1.09350	1.3320
[w(NaNO₃∶KNO₃)=5∶5]/Al₂O₃	1.14009	1.4200
[w(NaNO₃∶KNO₃)=5∶5]/SiO₂	0.96400	1.2680
[w(NaNO₃∶KNO₃)=5∶5]/ceramic	1.04930	1.3225
[w(NaNO₃∶KNO₃)=4∶6]/Al₂O₃	1.10329	1.3510
[w(NaNO₃∶KNO₃)=4∶6]/SiO₂	0.93000	1.2040
[w(NaNO₃∶KNO₃)=4∶6]/ceramic	1.01350	1.2865
[w(NaNO₃∶KNO₃)=9∶1]/Al₂O₃	1.07772	1.3150
[w(NaNO₃∶KNO₃)=9∶1]/SiO₂	0.92200	1.1360
[w(NaNO₃∶KNO₃)=9∶1]/ceramic	0.99250	1.2535

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