Research Institute of Computational Thermodynamics, Inc.
Examples of phase diagram calculation
1. CaO-SiO2 system
2. CaO-SiO2-Al2O3 system
3. Ca2SiO4-CaAl2O4 system
1. CaO-SiO2 system
A phase diagram is usually a two-dimensional diagram of what phases a system consists of under two conditions, such as temperature-composition (Tx) and temperature-pressure. As an example, draw a phase diagram of the CaO-SiO2 system. Basically, it is the same procedure as the equilibrium calculation, just calculating the range of two parameters and specifying [Phase Diagram] as the calculation type.
■ Calculation procedure
The calculation procedure is as follows.
1. Specify elements, select and load thermodynamic data
2. Setting calculation conditions
3. Calculation execution
4. Analysis of results
1. Specify elements, select and load thermodynamic data
Use the System button or the menu [Page]-[System] to display the System screen.
Click the mouse to select Ca, Si and O in the periodic table.
Select RICT-Ceram.EDB from the files displayed below and press the Load button to load the thermodynamic data.
2. Setting calculation conditions
In Feed/Activity Conditions, press the [Add Feed] button twice to add two lines, and manually enter CaO and SiO2 in the [Species] column as shown below. Next, select [Phase Diagram] as the calculation type and press the [Set Default Values] button. If necessary, modify the X and temperature settings in the condition setting panel on the right.
3. Calculation execution
Press the Calculate button to execute the calculation. A progress bar will be displayed, so if you want to stop, press the X button on the right.
4. Analysis of results
The calculation results are automatically displayed in a graph.
2. CaO-SiO2-Al2O3 system
The ternary phase diagram and arbitrary cross sections are calculated in a similar way. The figure below shows an example of CaO-Al2O3-SiO2 system ternary system calculation and a cross section calculation example.
The results are shown below.
3. Ca2SiO4-CaAl2O4 system
Cross section calculations can also be easily calculated. For example, the calculation conditions for the Ca2SiO4-CaAl2O4 cross section are as shown in the figure below.
The results are shown below.
