Microscopic origins of conductivity in molten salts unraveled by computer simulations.

ABSTRACT: Molten salts are crucial materials in energy applications, such as batteries, thermal energy storage systems or concentrated solar power plants. Still, the determination and interpretation of basic physico-chemical properties like ionic conductivity, mobilities and transference numbers cause debate. Here, we explore a method for determination of ionic electrical mobilities based on non-equilibrium computer simulations. Partial conductivities are then determined as a function of system composition and temperature from simulations of molten LiF_αCl_βI_γ (with α + β + γ = 1). High conductivity does not necessarily coincide with high Li⁺ mobility for molten LiF_αCl_βI_γ systems at a given temperature. In salt mixtures, the

SUBMITTER: Walz MM 

PROVIDER: S-EPMC9814786 | biostudies-literature | 2021 Jan

REPOSITORIES: biostudies-literature