MOLECULAR DYNAMICS STUDY ON THERMOPHYSICAL PROPERTIES OF Li2CO3/Na2CO3/K2CO3 AND THEIR MIXED MOLTEN SALT FOR HEAT STORAGE – Journal of Acta Energiae Solaris Sinica ©

Protected: MOLECULAR DYNAMICS STUDY ON THERMOPHYSICAL PROPERTIES OF Li2CO3/Na2CO3/K2CO3 AND THEIR MIXED MOLTEN SALT FOR HEAT STORAGE

Publication Date : 25/05/2023

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Author(s) :

Yang Xueming, Yang Xueming, Tao Jiawei, Meng Fanxing, Li Chunbo .


Volume/Issue :
Volume 44
,
Issue 1
(05 - 2023)



Abstract :

Abstract: Molecular dynamics (MD) simulations of density, specific heat capacity, viscosity and thermal conductivity of Li2CO3/Na2CO3/K2CO3 and its binary and ternary mixed molten salts were carried out and compared with the experimental results. The simulation results are in good agreement with the existing experimental data and simulation values. The results show that with the increasing of temperature, the density decreases and the distance between ions increases, which lead to the decrease of resistance to shear stress, indicating the negative temperature dependence of viscosity of the single-component, binary and ternary molten salts. For the thermal conductivity of molten salt, the single-component and the binary molten salt also show a negative temperature dependence, while the ternary molten salt tends to increase with the increase of temperature. Key words: solar thermal power generation, carbonate, molecular dynamics, molten salt, specific heat, viscosity, thermal conductivity 摘要: 对Li2CO3/Na2CO3/K2CO3及其二元和三元混合熔融盐的密度、比热容、黏度、热导率进行分子动力学模拟(MD),对比得出模拟结果与现有的实验数据和模拟值相近。结果表明:随着温度的升高,密度逐渐减小,离子之间的距离增加,导致对剪切应力的抵抗力变小,这说明单组分、二元和三元熔融盐黏度的负温度依赖性。对于熔融盐的热导率,单组分和二元熔融盐也呈现出负温度依赖性,而三元熔融盐趋势是随温度的升高呈上升状态。 关键词: 太阳能热发电, 碳酸盐, 分子动力学, 熔融盐, 比热, 黏度, 热导率


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