Calculation of Molar Volume and Density at Fixed Temperature

Purpose: Learn to calculate physical properties in a system

Module: PanPhaseDiagram

Thermodynamic and molar volume Database: AlMg_MV.tdb

Batch file: Example_#1.12.pbfx

Figure 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 x(Mg) at 300°C (the red dash line).

Figure 1: Al-Mg binary phase diagram

Calculation Method 1, From menu bar “Property”:

Load AlMg_MV.tdb 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 2. The property selected is Vm (molar volume) and density;

Figure 2: Setup calculation of molar volume and density from pure Al to pure Mg at 300 °C

Calculation Method 2, From menu bar “PanPhaseDiagram”:

Load AlMg_MV.tdb 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 3 shows the calculated molar volume which increases with the increase of Mg content;
Figure 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 as shown in Figure 5;

Figure 3: Calculated molar volume of the system from pure Al to pure Mg in Al-Mg binary at 300 °C

Figure 4: Calculated density from pure Al to pure Mg in Al-Mg binary at 300 °C

Figure 5: The physical_property table showing the stable phases varying with the composition and the calculated molar volume and density