Results for “YCl3” | Engineering Papers

DOE OSTI2020

Materials Data on YCl3 by Materials Project

YCl3 is Aluminum trichloride structured and crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one YCl3 sheet oriented in the (0, 0, 1) direction. Y3+ is bonded to six Cl1- atoms to form edge-sharing YCl6 octahedra. There are four shorter (2.66 Å) and two longer (2.67 Å) Y–Cl bond lengths. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a water-like geometry to two equivalent Y3+ atoms. In the second Cl1- site, Cl1- is bonded in a water-like geometry to two equivalent Y3+ atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Empirical estimation of densities in NaCl-KCl-UCl 3 and NaCl-KCl-YCl 3 molten salts using Redlich-Kister expansion

Densities of molten KCl-NaCl-UCl 3 and KCl-NaCl-YCl 3 ternary systems have been estimated using a multidimensional Redlich-Kister model. Temperature and composition dependent Redlich-Kister functions have been used to generate binary interaction parameters in the outlined ternary salt systems. These binary interactions have been used in the extrapolation to ternary system densities. The results of the density extrapolations by Muggianu interpolation scheme provide agreement within 2–3% for the NaCl-KCl-YCl 3 liquids and 11% in NaCl-KCl-UCl 3 liquids compared to the available experimental data. Modeling NaCl-KCl-UCl 3 molten phase density with a ternary interaction parameter improved the agreement within 4%. Thermophysical modeling used in this study has shown promising results for use in other material properties, such as viscosity, thermal conductivity, and heat capacity of the molten salts. Lastly, the outlined modeling method applied in these specific molten salt ternaries can be used for quaternary or higher multicomponent molten salt systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗