A brief description of the modules of Thermo-Calc is given and two examples are included which demonstrate how flexibly the calculations can be made. The assessment procedure necessary to develop and extend the the databank is discussed. The databank is quite general and can be applied to all systems where data assessed by a model implemented in the databank are available. Using the facilities of Thermo-Calc one can tabulate thermodynamic data, calculate the heat change of chemical reactions and their driving force, evaluate equilibria for chemical systems and phase transformations and calculate various types of multicomponent phase diagrams by an automatic mapping procedure. The temperatures of transition between phases have been assessed to be consistent with the 1990 International Temperature Scale (ITS90).read more read lessĪbstract: A description is given of Thermo-Calc, a databank for thermochemistry and metallurgy developed at the division of Physical Metallurgy of the Royal Institute of Technology (KTH) in Stockholm. Throughout this paper the thermodynamic data are expressed in terms of J mol−1. Where appropriate a temperature- pressure phase diagram is also shown. For certain elements the thermodynamic data have been assessed as a function of pressure as well as temperature. The variation of the heat capacity of the various phases and the Gibbs energy difference between phases are also shown graphically. The data for each phase of each element considered aie presented as expressions showing, as a function of temperature, the variation of (a) G-HSER, the Gibbs energy relative to the enthalpy of the “Standard Element Reference” ie the reference phase for the element at 298.15 K and (b) the difference in Gibbs energy between each phase and this reference phase (ie lattice stability). The data are being published here in the hope that they will become widely adopted within the international community as a sound basis for the critical assessment of thermodynamic data, thereby, perhaps, limiting unnecessary duplication of effort. SGTE is a consortium of seven organisations in Western Europe engaged in the compilation of a comprehensive, self consistent and authoritative thermochemical database for inorganic and metallurgical systems. Abstract: Thermodynamic data for the condensed phases of 78 elements as currently used by SGTE (Scientific Group Thermodata Europe) are tabulated.

Factsage equilibrium phase diagram