Application Examples

This is an example calculating the dew point in the POLY3 module. The SUBDEMO database is used and included with your installation.

The STEP_WITH_OPTIONS and MAP commands are of note and used in this example.

The example calculates an equilibrium with suspended or dormant phases and shows how to avoid Cr-oxide clogging in a continuous casting process.

This uses the TCOX database. A license is required to run the example.

The background of this example is that a manufacturer wanted to increase the Cr content of a material from 18 to 25 weight percent. They then had trouble in the continuous casting of this material because solid Cr2O3 was formed.

Using Thermo‑Calc to calculate the equilibria in the steel/slag system, a simple correction was found: modify the Mn or Si content to decrease the oxygen potential.

In Thermo‑Calc, you can FIX a phase with zero amount to simulate how to avoid forming this phase. You then release one of the conditions, usually one of the compositions, and this composition is determined by the equilibrium calculation.

These commands are of note and used in this example:

This example demonstrates the oxidation of Cu2S with an H2O/O2 gas mixture. Thermo‑Calc is used to find the optimum O/H ratio (i.e. oxygen potential) as certain oxygen potential values can desulphurize Cu2S without forming copper oxides.

In Thermo‑Calc, the problem reduces to perform equilibria calculations in a Cu-S-H-O system. The amounts of the components should be kept to correct ratio corresponding to Cu2S and H2O using a command SET_INPUT_AMOUNTS in POLY3. Initially, O/H = 0.5 is given. Optimum O/H ratio is calculated with the desired calculation conditions. For example, to simulate one phase disappearing, you can FIX the phase with zero amount.

The tcex11.TDB file is used to access data and this is included with your installation.

These commands are of also of note and used in this example:

This example calculates the adiabatic decompression in a geological system using the geochemical database. The database is included with the file named PGEO.TDB, which is in the same folder as this example.

These commands are of note and used in this example:

This is a simple reactor model with output of gases at the top and output of condensed phases at the bottom. The gas phase from one segment flows to higher segments, 80% reacts in the first above, 15% in the second above and 5% in the third above.

The condensed phases flow downwards and all of it goes to the next lowest segment. Heat can be added at any module. The only way to specify the initial state of the reactants added to the reactor is to specify the heat content.

This uses the SSUB database. A license is required to run the example.

These commands are of note and used in this example:

This example calculates the chemical vapor deposition (CVD).

This uses the SSUB database. A license is required to run the example.

These commands are of note and used in this example:

This example calculates the Pitting Resistance Equivalence (PRE) for a duplex stainless steel.

This uses the TCFE database. A license is required to run the example.

These commands are of note and used in this example:

This example shows how to calculate the speciation of a gas.

This uses the SSUB database. A license is required to run the example.

These commands are of note and used in this example: