Molecular dynamics simulation of solar salt (NaNO3-KNO3) mixtures

Abstract

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Development of a Polarizable Interatomic Potential for Molten Lithium, Sodium, and Potassium Nitrate

“…However, it should be noted that the thermal conductivity is estimated using only the integrated energy flux autocorrelation and the coupled thermoelectric effects are neglected. A similar study was conducted by Anagnostopoulos et al on the physical properties of NaNO 3 and KNO 3 , using a Lennard-Jones potential to describe the intermolecular interactions which produced similar results.…”

Wettability of NaNO3 and KNO3 on MgO and Carbon Surfaces—Understanding the Substrate and the Length Scale Effects

“…The Buckingham potential is often chosen for the simulation of molten salts. However, because of the absence of mixing rules and hence the difficulty of calculating the cross-term interaction parameters, which are key in wetting interactions, the Lennard-Jones plus Coulombic potential, validated in a previous paper, is used in this study for the interatomic interactions where C is an energy-conversion constant, q i is the atom charge on atoms of type i , q j is the atom charge on atoms of type j , e is the dielectric constant, r is the distance between two atoms, σ is the finite distance at which the interparticle potential is zero, and ε is the depth of the potential well. The first term of eq represents the Coulombic (electrostatic) potential, while the second represents the Lennard Jones potential.…”

Effects of SiO2 Nanoparticle Dispersion on The Heat Storage Property of the Solar Salt for Solar Power Applications

“…Similarly, we calculated the different components of the system energy per atom and per interaction, averaged by atom number and interaction number, inspired by the concept of the thermal equilibrium model and weighted average calculation. The calculation formula is shown in Equation (5). The energy value obtained by Equation ( 5) is defined as E ave, * (where * represents the different components of energy-* can be set as pe, vdwl, coul, etc., as mentioned above).…”

“…In the CSP system, molten salt is an important heat transfer and storage medium, since it has the features of low cost, large reserves, and is environmentally friendly. In addition, the molten salt can remain thermally stable at a relatively high working temperature, which is also necessary and important for the thermodynamic cycle in the CSP system [2][3][4][5][6]. However, the thermophysical properties of molten salt at their working temperature range are disappointing (i.e., the specific heat capacity (SHC) is lower than 2 J•g −1 •K −1 and the thermal conductivity (λ) is about 0.3~0.6 W•m −1 •K −1 ) in the liquid phase [7][8][9][10][11][12][13].…”