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Ingegneria Sismica

Ingegneria Sismica

Improving the Computational Effectiveness of Molten Salt Viscosity of Alkali Metal Chlorides: A Molecular Dynamics Simulation and Theoretical Calculation Study

Author(s): Jixiang Cui1,2, Jieting Liu3, Mingli Zhang4, Yaoqin Sun1,2, Xuan Liu1,2, Feiyang Han1,2, Jian Xiao1,2, Haotian Liu1,2
1Department of Power Engineering,Baoding Technical College of Electric Power,Baoding 071000, China
2Skill training center of State Grid Jibei Electric Power Company, Baoding 071000,China
3Department of New Energy Engineering, Harbin Electric Power Vocational and Technical College, Harbin 150030, China
4Xi’an Thermal Power Research Institute Co., Ltd., Xi’an 710054, China
Cui, Jixiang . et al “Improving the Computational Effectiveness of Molten Salt Viscosity of Alkali Metal Chlorides: A Molecular Dynamics Simulation and Theoretical Calculation Study.” Ingegneria Sismica Volume 43 Issue 3: 1-16, doi:10.65102/is20261100.

Abstract

Comprehensive molecular dynamic simulations were carried out to compute the viscosity and density of three commonly used chloride molten salts and their binary mixtures over a wide operating temperature range.Compared with the experimental data, the absolute relative error of the simulation results of the density and viscosity for the three kinds of chloride molten salts are all within 9.3% and 9.4%,respectively,the comprehensive results showed that the simulation results are in good agreement with the experimental values.The molecular dynamic simulations and Eyring model and molecular dynamic&theoretical caculation(MD-TC)were utilized for viscosity of binary chloride molten Salts.Compared with the experimental results,the MD-TC got more accurate results among three methods,the average error between the viscosity results of KCl-LiCl and the experimental values is only 2.03%.The results showed that it is feasible to calculate the viscosity of mixed chloride molten salts by MD-TC.In order to better understand the thermophysical properties of chloride molten salts at a molecular level, the partial radial distribution functions were calculated and local structures were analyzed. The results and methods put forth in this paper offer reference and guiding value for practical application of heat storage based on mixed chloride molten salts.

 

Keywords
chloride molten salts; molecular dynamic simulations; theoretical caculation; viscosity; density

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