Example 1.13: Calculation of Molar Volume and Density at Fixed Composition
Purpose: Learn to calculate physical properties in a system
Module: PanPhaseDiagram
Thermodynamic and molar volume Database Al_Demo.rtdb
Batch file: Example_#1.13.pbfx
Figure 1.13.1 is the Al-Mg binary phase diagram. In this example, we learn to calculate the molar volume and density of the system as a function of temperature at a fixed composition (the red dash line).
Figure 1.13.1: Al-Mg binary phase diagram
Calculation Method 1, From menu bar “Property”:
- Load Al_Demo.rtdb following the procedure in Pandat User’s Guide: Load Database, and select Al and Mg two components;
- Click “Property” on the menu bar and select “Physical Property”;
- Set Calculation Condition as shown in Figure 1.13.2. The property selected is Vm (molar volume) and density;
Figure 1.13.2: Setup calculation of molar volume and density from 0 to 800 °C at a fixed composition
Calculation Method 2, From menu bar “PanPhaseDiagram”:
- Load Al_Demo.rtdb following the procedure in Pandat User’s Guide: Load Database, and select Al and Mg two components;
- Click “PanPhaseDiagram” on the menu bar and select “Line Calculation”;
- Add the new table following the procedure in Pandat User’s Guide: Icons for Table on Toolbar, and select Table Type as "Physical_Property"
Information obtained from this calculation:
- Figure 1.13.3 Calculated molar volume of the system in Al-Mg binary from 0 to 800°C at a fixed composition
- Figure 1.13.4 is the calculated density which shows the opposite trend as that of the molar volume;
- Details information can be found in the physical_property Table.
Figure 1.13.3: Calculated molar volume of the system in Al-Mg binary from 0 to 800°C at a fixed composition
Figure 1.13.4: Calculated density of the system in Al-Mg binary from 0 to 800°C at a fixed composition