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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 NaNO ₃-KNO ₃models 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 NaNO ₃content, 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.

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

DownLoad: CSV

	离子数
	460	920	1380	1840	2300	2760	5520
温度/K	493	493	503	518	508	492	493

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	w(NaNO₃)∶w(KNO₃)
	4∶6	5∶5	6∶4	9∶1
温度/K	493	488	493	548

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	离子数
	460	920
温度/K	528	548

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	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

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

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