With this program option you can calculate equilibrium composition and amounts of prevailing phases in any reactor. You only specify the raw material amounts, temperatures and the species of the system. These species can be specified by selecting the elements of the system, or typing the formulas, or by editing the old file. Activity coefficients can be given, if necessary, as constants or as functions of temperature and composition.
Calculations can be repeated at stepwise intervals over the range of raw materials amounts or reaction temperatures in order to visualize the effect of these process variables. For example, you can observe the effect of temperature on arsenic evaporation from copper-iron sulfides, or the effect of chlorine feed on titanium chlorination.
Equilibrium compositions are calculated using the Gibbs energy minimization method as soon as the user saves the input data by pressing the Save button. The results can raw material amount, temperature, then be presented graphically as a function of partial pressure, etc.
You can select linear or logarithmic scale and set maximum and minimum values for the x- and y-axis.
The tabular numerical data which is used to draw the diagram can be saved as a normal text file by pressing the Table button. These files can be read, for example, in spreadsheet programs for further calculations.
A paper copy of the diagram can be obtained at the highest resolution of your Windows-supported printer by pressing the Print BW button. If you have a color printer press the Print Col button.
A special Cell Equilibrium calculation option is also available for calculating charge and composition of phases in electrochemical cells, such as batteries.