RT Journal Article
T1 Computational modelling of the local structure and thermophysical properties of ternary MgCl2-NaCl-KCl salt for thermal energy storage applications
A1 Lambrecht, Mickael
A1 De Miguel Gamo, María Teresa
A1 Lasanta Carrasco, María Isabel
A1 García Martín, Gustavo
A1 Pérez Trujillo, Francisco Javier
AB 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.
PB Elsevier
SN 0017-9310
YR 2022
FD 2022-07-27
LK https://hdl.handle.net/20.500.14352/71901
UL https://hdl.handle.net/20.500.14352/71901
LA eng
NO CRUE-CSIC (Acuerdos Transformativos 2022)
NO Ministerio de Ciencia e Innovación (MICINN)
DS Docta Complutense
RD 5 abr 2025