If ChemApp indicates that it cannot calculate an equilibrium, typically returning error numbers 701 or 702 after a call to TQCE (Calculate – Equilibrium) or TQCEL (Calculate – Equilibrium – List – Results), check the conditions which are active for the equilibrium calculation in question using TQSHOW (Show – Present – Settings). Then check the comment section at the end of the data-file and make sure you are not violating any application ranges (e.g. relating to temperature, composition). Typical mistakes of this kind are:
- Using composition values which are not covered by the data (e.g. trying to use a file for a low-alloyed steel at high compositions of the alloying elements)
- Using temperatures not covered by the data in the file (e.g. at temperatures where an alloy would be liquid, but no liquid phase data is contained in the data-file).
If you have verified that the input conditions which led to the error are within the permitted ranges of the data-file, contact GTT’s Technical Support for further help.