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 AlMg_MV.tdb

Batch file: Example_#1.13.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 temperature at a fixed composition (the red dash line).

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;

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 Calculated molar volume of the system in Al-Mg binary from 0 to 800°C at a fixed composition

• 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.