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Structure and Thermophysical Properties of Molten Calcium-Containing Multi-Component Chlorides by Using Specific BMH Potential Parameters

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  • Xiaolan Wei

    (School of Chemistry and Chemical Engineering, South China University of Technology, Guangzhou 510640, China)

  • Dandan Chen

    (School of Chemistry and Chemical Engineering, South China University of Technology, Guangzhou 510640, China)

  • Shule Liu

    (School of Materials Science and Engineering, Sun Yat-Sen University, Guangzhou 510006, China)

  • Weilong Wang

    (School of Materials Science and Engineering, Sun Yat-Sen University, Guangzhou 510006, China)

  • Jing Ding

    (School of Materials Science and Engineering, Sun Yat-Sen University, Guangzhou 510006, China)

  • Jianfeng Lu

    (School of Materials Science and Engineering, Sun Yat-Sen University, Guangzhou 510006, China)

Abstract

Chloride molten salts have become a potential heat storage material for the design of a new generation of concentrating solar power (CSP) (>700 °C) due to its abundant reserves and low cost. The difficulty of measuring the high-temperature thermal properties of chlorides can be effectively solved by using molecular dynamics simulation. However, it is challenging to get the thermophysical properties of multi-component molten salts containing CaCl 2 due to the lack of Born–Mayer–Huggins (BMH) potential parameters of CaCl 2 . Through comparative analysis of the structure and thermal properties of CaCl 2 , including density and thermal conductivity, a set of Born–Mayer–Huggins (BMH) potential parameters of CaCl 2 named SP2 is determined in this study. The density, specific heat capacity, and thermal conductivity of nine eutectic molten salts are simulated, including NaCl-CaCl 2 , KCl-CaCl 2 , NaCl-CaCl 2 -MgCl 2 , and NaCl-CaCl 2 -KCl, and the simulation results are found to be in good agreement with the experimental results. It is also found that the SP2 parameters are able to predict the thermal properties and structure of molten multicomponent chlorides including calcium.

Suggested Citation

  • Xiaolan Wei & Dandan Chen & Shule Liu & Weilong Wang & Jing Ding & Jianfeng Lu, 2022. "Structure and Thermophysical Properties of Molten Calcium-Containing Multi-Component Chlorides by Using Specific BMH Potential Parameters," Energies, MDPI, vol. 15(23), pages 1-14, November.
    • Handle: RePEc:gam:jeners:v:15:y:2022:i:23:p:8878-:d:982844
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    References listed on IDEAS

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    1. Tian, Heqing & Wang, Weilong & Ding, Jing & Wei, Xiaolan, 2021. "Thermal performance and economic evaluation of NaCl–CaCl2 eutectic salt for high-temperature thermal energy storage," Energy, Elsevier, vol. 227(C).
    2. Kenisarin, Murat M., 2010. "High-temperature phase change materials for thermal energy storage," Renewable and Sustainable Energy Reviews, Elsevier, vol. 14(3), pages 955-970, April.
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