The performance of THEREDA is checked by application to specific systems. For example, solubility, invariant points, speciation, or water activity are calculated for complex systems and compared with experimental data. The results are presented on this website as diagrams (“positive list”). If not specified otherwise, the calculations are based on the current release.
Before performing own calculations, please check their reliability using the positive list. To do so, select a corresponding component. Then all results of test calculations carried out so far as well as comparisons with experimental data are displayed. The references of the compared, experimental values of each test calculation can be retrieved via the reference search above.
The positive list is continuously being extended. In case you don’t find a specific system in the positive list, this doesn’t mean necessarily that the respective calculation leads to a wrong result; the applicability of THEREDA has just not yet been documented for this specific case, or no experimental data for comparison exist so far.