Computational modelling of the local structure and thermophysical properties of ternary MgCl2-NaCl-KCl salt for thermal energy storage applications

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Lambrecht, Mickael and Miguel Gamo, María Teresa de and Lasanta Carrasco, María Isabel and García Martin, Gustavo and Pérez Trujillo, Francisco Javier (2022) Computational modelling of the local structure and thermophysical properties of ternary MgCl2-NaCl-KCl salt for thermal energy storage applications. International journal of heat and mass transfer, 196 . p. 123273. ISSN 0017-9310

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Official URL: https://doi.org/10.1016/j.ijheatmasstransfer.2022.123273



Abstract

Molten salts as heat transfer fluids (HTF) for concentrated solar power (CSP) plant application are considered as the best thermal storage medium, and more precisely molten chlorides, presenting a wide operating range and coupled with competitive cost. Furthermore, MgCl2-NaCl-KCl (MgNaK) mixture appeared as the most promising one but need further studies to better understand its thermophysical properties. Indeed, its hydrated form leads to the formation of corrosive compounds. In this research, two different methods are used to model the ternary mixture. The dehydration process is evaluated by thermodynamical calculations with Thermocalc software. Then, the local structure, thermal conductivity and viscosity are estimated by means of molecular dynamics simulation, with LAMMPS package. The results were close to past simulations studies and experimental references, but discrepancies need to be further minimized regarding some variable fluctuations.


Item Type:Article
Additional Information:

CRUE-CSIC (Acuerdos Transformativos 2022)

Uncontrolled Keywords:Concentrated solar power, Thermodynamic simulations, Molecular dynamics simulations, Heat transfer fluid, Local structure
Subjects:Sciences > Physics > Thermodynamics
Sciences > Chemistry > Chemical engineering
ID Code:74175
Deposited On:23 Aug 2022 10:46
Last Modified:23 Aug 2022 10:49

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