Correlational Approach to Predict the Enthalpy of Mixing for Chloride Melt Systems.

ABSTRACT: A methodology to estimate the heat of mixing (Δ_mix H) for salt liquids in unexplored AkCl-AnCl _x /LnCl _x (Ak = alkali, An = actinide, Ln = lanthanide) systems is developed. It improves upon previous empirical approaches by eliminating the need for arbitrarily choosing the required composition at maximum short-range ordering, the minimum Δ_mix H prior to performing the estimation, which avoids the intrinsic ambiguity of that approach. This semiempirical method has computationally reproduced the behavior of NaCl-UCl₃ and KCl-UCl₃ systems, providing Δ_mix H values that agree well with the reported measurements within a propagated two standard deviations (2σ). The capability of the app

SUBMITTER: Schorne-Pinto J 

PROVIDER: S-EPMC8756789 | biostudies-literature | 2022 Jan

REPOSITORIES: biostudies-literature