Formation Enthalpies Estimation by a Semi-Empirical Approach for Chemical Considerations in Lead-cooled Fast Reactors

In order to predict the consequences and to know how to intervene after a cladding failure event in a Generation IV Lead-cooled Fast Reactor (LFR), the chemical interaction between the coolant and the irradiated fuel is one of the main issues. In this study, Miedema's semi-empirical method is used to estimate enthalpies of formation and solution of binary Pb-X systems, where X is any other element of interest for a LFR core. Moreover, extensions of Miedema's method have been considered in order to investigate chalcogenides and ternary compounds. The calculated and experimental values of enthalpies of formation are in good agreement, considering the semi-empirical nature of the model. In addition, new values for Miedema electronegativity and hybridization term for Pb have been proposed obtaining a better agreement with experimental data. These new values have been used to calculate many enthalpies of formation of binary and ternary compounds containing lead for which there is no experimental data in literature.