Heat capacity of molten alkali halides

AG Davydov, NK Tkachev - Journal of Molecular Liquids, 2022 - Elsevier
Experimental data on the heat capacities of molten alkali halides near their melting points
are analyzed depending on cation–anion composition. The isochoric heat capacities of all …

Equation of State for Molten Alkali Halides by Thermodynamic Perturbation Theory

AG Davydov, NK Tkachev - The Journal of Physical Chemistry A, 2022 - ACS Publications
Several variants of the equation of state (EoS) for molten alkali halides are considered using
the thermodynamic perturbation theory. Most attention is focused on taking into account the …

Calculation of liquidus in eutectic alkali halide mixtures using thermodynamic perturbation theory

AG Davydov, VA Elterman - Journal of Molecular Liquids, 2024 - Elsevier
A statistical-thermodynamic model that makes it possible to describe with good accuracy
phase equilibria between melt and crystal in binary alkali halide mixtures with common …

Calculation of the Melting Temperatures of Alkali Metal Halides Using the Thermodynamic Perturbation Theory

AG Davydov, NK Tkachev - Russian Metallurgy (Metally), 2023 - Springer
A model is proposed to describe liquid–crystal phase equilibria in order to calculate the
melting temperatures of ionic compounds. The dependence of the melting temperatures of …

Calculation of the Temperature Dependences of the Densities of Liquid Rubidium and Cesium Halides with Allowance for the Charge–Dipole Contribution to the Melt …

AG Davydov, VA Elterman - Russian Metallurgy (Metally), 2024 - Springer
The temperature dependences of the densities of molten rubidium and cesium halides are
described for the first time in terms of a statistical theory of liquid. The equation of state used …

Calculation of the Heat Capacities of Molten Cesium Halides Using Thermodynamic Perturbation Theory

AG Davydov, VA Elterman - Russian Metallurgy (Metally), 2024 - Springer
Because of great difficulties in conducting high–temperature experiments to measure the
thermal effects in molten salts, the information accumulated to date on the temperature …

Equation of State for Characterizing the Density of Lithium, Sodium, and Potassium Molten Halides

AG Davydov, VA Elterman - Russian Metallurgy (Metally), 2024 - Springer
In view of ever-increasing interest of the industry in multicomponent salt solutions, those
engaged in physical chemistry are facing a problem of deriving equations of state that could …

Equation of state for cesium halide melts

AG Davydov, NK Tkachev - High Temperature, 2022 - Springer
The thermodynamic perturbation theory based on a model of a multicomponent mixture of
charged hard spheres is used to propose the equation of state for alkali halide melts that …

Local Structure of Molten Lithium Fluoride. II. Structure Factor Calculation by Ab Initio and Classical Molecular Dynamics Methods

MA Kobelev, DO Zakir'yanov, NK Tkachev - Russian Metallurgy (Metally), 2023 - Springer
The partial structure factors (PSFs) of molten lithium fluoride at a temperature of 1200 K are
calculated using the following three methods: ab initio and classical molecular dynamics …

CALCULATION OF THE MELTING POINTS OF ALKALI HALIDES USING THE THERMODYNAMIC PERTURBATION THEORY

AG Davydov, NK Tkachev - Rasplavy, 2023 - journals.rcsi.science
A model for calculating phase equilibria between a liquid and a crystal is proposed, which
makes it possible to evaluate the melting points of ionic compounds. The dependence of the …