State of the Art in Integrated Thermodynamic Databases

Abstract

Integrated thermodynamic databases (ITDs) and its applications have been reviewed. Thermodynamic quantities and phase diagram of practical multi component steels and slags calculated by using the ITDs have been found to agree well with measurements. Transformation structure, precipitation and composition change of molten steel due to reaction with molten slag can be predicted by using process simulation model in which ITD is used as a subroutine program. Calculation accuracy depends on the experimental data which is used to determine thermodynamic parameters in the ITDs. From this viewpoint, it is very important to accumulate accurate experimental data. The following recent movements can be mentioned: 1) Calculation models for prediction of thermodynamic properties at surface/interface have also been developed. 2) Application programs such as analysis of solidification and refining have been built in the ITDs. 3) Ab initio calculation software has been available and its result have been converted to database for CALPHAD approach.