Compound

Slide 8

1. Click on with the mouse right button to open a context menu.

2.

Point the arrow to Add phase and select Solid from the sub menu by a clicking the mouse left button.

3.

Compound only takes values for the heat of formation (DH298) and entropy (S298).

4. Values of DH298 S298 are obtained from the graph (see slide #5)

Check the extended properties box to enter data on Thermal expansion, Compressibility, Bulk moduluss derivative or Magnetic properties for the solid.

Entering enthalpy and entropy properties for the first phase of the compound in the new database

Compound

Slide 9

Click on Cp with the mouse left button to open the box Cp expression for S1

Enter the CP range from 298 K to 987 K and the CP expression for MgCl2 solid (see slide #5) CP(S)= 79.1 + 0.59410-2 T - 8.62105 T-2 J/molK

Entering Cp values for the first phase of the compound in the new database

Compound
1.

Slide 10

Click on or or with the mouse right button to open a context menu.

2. Point the arrow to Add phase and select Liquid from the sub menu by a clicking the mouse left button.

3.

Compound proposes two ways to enter the data: either you enter the heat of formation (DH298) and entropy (S298) and the entry is flagged by the icon ; or you enter the heat and temperature of transformation and the entry is flagged by the icon ;

Alternate way to enter the thermodynamic data of a new phase

Compound

Slide 11

3. (continued) Entry of the heat and temperature of transformation

You can enter the liquid extended properties after checking the box

4.

Click on Cp with the mouse left button to open the box Cp expression for L1

Note:

Compound
calculates automatically the values of DH0L, 298 and S0L, 298 . Note that these values are the same as those in slide #5. 5. Enter the CP range from 298.15 K to 1691 K and the CP expression for MgCl2 liquid (slide #5): CP(L)= 92.5J/molK

Alternate way to enter the thermodynamic data of a new phase (continued)

Compound
1.

Slide 12

Click anywhere in this region with the mouse right button to open a context menu.

2.

Point the arrow to Add phase and select Gas from the sub menu by a clicking the mouse left button.

3.

Entry of the heat of formation (DH298) and entropy (S298).

You can enter the gas extended properties after checking the box

Entering the thermodynamic data for the gaseous phase

Compound
4.

Slide 13

Click on Cp with the mouse left button to open the box Cp expression for G1

5.

Enter the CP range from 298.15 K to 6000 K and the CP expression for MgCl2 gas (slide #5): CP(L)= 95 J/molK

6. Press on the Save icon to complete your entry for this compound. The database now contains 1 compound. Note: The change in the color of the icon from indicates that your data are saved. to

Saving the data for MgCl2

Compound

Slide 14

Note that the MgCl2 properties data retrieved from the read only FACTBASE database are shown in gray color. Select the compound (MgCl2) from the FACTBASE database with the mouse left button; and then either A.
1. Drag and Drop it to the EXAMBASE database.

or B. 1. 2. 3.
Select Copy MgCl2 from FACTBASE from the Edit Menu; Select the EXAMBASE database; and,

Select Paste MgCl2 to EXAMBASE from the Edit Menu.

1.

2. 3.

Editing between databases: example of Copy

Compound

Slide 15

You can expand and reduce the extent of the tree structure of the databases by clicking with the mouse left button on the box at the right of an icon.

You can add, remove or modify the data inside a read and write database. Here we are editing the Cp range for the solid (S1) phase of MgSO4 in the r/w EXAMBASE database.

Editing a read and write (r/w ) database

Compound

Slide 16

View Compound: MgCl2 Tabular Values