Theoretical estimation of temperature-dependent radiation properties of molten solar salt using molecular dynamics and first principles

ZH Ruan, P Gao, Y Yuan, HP Tan - Energy, 2022 - Elsevier
The use of solar salt is important in modern solar energy utilization technology, ie
concentrating solar power. However, there are few high-temperature-dependent radiation …

Applying the Born-Mayer model to describe the physicochemical properties of FLiNaK ternary melt

DO Zakiryanov - Computational and Theoretical Chemistry, 2023 - Elsevier
In this study, the Born-Mayer potential was used to calculate the physicochemical properties
of the FLiNaK ternary eutectic. The commonly used Fumi and Tosi parameters were here …

The refined determination of the ion pair lifetimes in ionic liquids

D Zakiryanov - Computational and Theoretical Chemistry, 2022 - Elsevier
Assessing lifetimes of liquid's local structures could bring impactful output. For example, the
key transport properties of ionic liquids are governed by local structure dynamics to a large …

The physicochemical properties of the CeF3 – FLiNaK molten mixture: an in silico study

D Zakiryanov - Molecular simulation, 2023 - Taylor & Francis
This study is devoted to the physicochemical properties of CeF3–FLiNaK molten mixture
with various CeF3 concentrations. Density, local structure, mean ion pair lifetimes, heat …