Reprint of: FactSage thermochemical software and databases, 2010–2016

Rare Earth Metal PolytelluridesRETe1.8(RE= Gd, Tb, Dy) – Directed Synthesis, Crystal and Electronic Structures, and Bonding Features

“…Prior to experimental efforts for solid state synthesis of rare earth metal polytellurides RE Te 2– δ a thermodynamic assessment of the binary systems had been aspired in order to get a rational approach for suitable synthesis conditions. The evaluation of temperature and pressure dependent existence ranges of known RE ‐Te phases, and of potential compounds RE Te 2– x started with modeling of the respective phase diagrams ( T‐x diagrams) . After optimization of standard data by fitting the experimental binary phase diagram further calculation of the pressure dependent existence of binary phases resulted in the respective phase barogram .…”

“…This procedure is well accepted for evaluation of standard entropies using the Neumann–Kopp rule. Finally, heat capacities of all binaries were calculated based on the same rule utilizing the established data for gadolinium and tellurium …”

Thermodynamic Property of Tellurium in Molten Iron Measured by the Transpiration Method

“…Figure 3 shows the partial pressure of various species of tellurium gas in equilibrium with pure solid tellurium in a temperature range just below the melting point of tellurium as calculated with FactSage thermochemical software. [20][21][22] Te 2 (g) is shown to be the dominant specie generated in the upper zone. If we make an approximation that Te 2 (g) is the only specie and assume the partial pressure of tellurium is constant during an experiment, the partial pressure of tellurium obtained by the transpiration method can be obtained by dividing the total number of moles of generated tellurium gas by that of carrier gas (or atmospheric gas in the following equilibration experiments) transferred.…”

“…Aluminum and oxygen contents in the selected samples are not significantly high. Thermodynamic calculation using available data [20][21][22] suggests that there is no chance of formation of Al 2 Te 3 or TeO 2 as primary inclusions in these range of oxygen and aluminum contents. Since it seems difficult to decrease them significantly within the framework of our experimental methodology, we reasonably regarded the system as Fe-Te binary and neglected the effect of aluminum and oxygen in this study.…”

“…In a similar fashion, we may understand the difference among the standard Gibbs energy of dissolution of oxygen, sulfur and tellurium. The standard Gibbs energy of formation of the respective compounds at 1 873 K have been assessed as follows: [20][21][22] Fe ( Here, their enthalpy and entropy terms are shown explicitly. In Fig.…”