New Features of Entall Database: Comparison of Experimental and Model Formation Enthalpies/ Nowe Funkcje Bazy Danych Entall: Porównanie Doświadczalnych I Modelowych Entalpii Tworzenia

Abstract

Abstract This paper presents a new version of the Entall database of the thermodynamic properties of metals and their alloys. The changes are related to the thermodynamic data of new binary and ternary systems as well as the integration of the database with an application for the modeling of the formation enthalpies of intermetallic phases with the use of the Miedema model. Using this tool, calculations of the enthalpies of formation of 38 intermetallic phases from 12 binary systems were performed and a comparative analysis conducted. The results of the analysis clearly showed a weak correlation between the model and experimental data. To improve this correlation, an intermediate method of proportional change was proposed, on the basis of the measurement of the enthalpy of formation for one of the phases. The values for the other phases obtained from this indirect method should not deviate much from the experimental ones provided that before the measurements (dissolving or pulping) or after them (direct synthesis), the phase being examined should undergo structural tests, in order to confirm its dominating amount in the samples.