Tabulating a Substance or Solution Phase at Fixed Composition

A tabulation of a substance or solution phase at fixed composition provides you with data about the standard tabulation properties at various levels of temperature for a given chemical reaction. You can also add one extra property column of your choice to the table.

It is important to have already defined the system and retrieved thermodynamic data from a database before using the TAB command.

1. Use goto_module TAB to enter the TAB module.

2. Use SWITCH_DATABASE to switch to a database that contains solution-based data, such as TCFE for example.

   You cannot use the default SSUB database when tabulating solution phases at a fixed composition.

3. If you want to add one thermodynamic function to the tabulation calculation, which is present in a sixth column in the table, use ENTER_FUNCTION.

   You are prompted to specify the column header and the function itself. The following state variables can be used to define the function: G, H, S, T, P, V and H298.

4. Use TABULATE_SUBSTANCE followed by the name of the substance or solution phase to perform the tabulation calculation.
5. Set the pressure, the range of temperature that you want the tabulation to cover, and change in temperature between each row in the table. You can also specify if you want to output the calculation results to an EXP-file and whether you want any graphical output, and if so, which column you want to be plotted against temperature.

The tabulation calculation is performed and a table shows the various properties at each temperature level within the defined range.

If you have chosen to receive graphical output, then the Console Results window presents a graph that plots the column you chose (on the Y-axis) against temperature (on the X-axis). ). When this graph is plotted, you end up in the POST module, where you can modify the graph in other ways.