Property Diagram Examples

This example shows how to plot thermodynamic functions in unary, binary, and ternary systems. It also involves working with partial derivatives and partial quantities.

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

These commands are used and may be of interest:

This example shows how to calculate property diagrams for a high speed steel i.e. phase fraction plots, activity vs temperature, and so forth.

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

These commands are of note and used in this example:

• DEFINE_DIAGRAM
• DEFINE_ELEMENTS
• AMEND_PHASE_DESCRIPTION
• REINITIATE_PLOT_SETTINGS

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.

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:

• SET_NUMERICAL_LIMITS
• SET_REFERENCE_STATE
• SHOW_VALUE

This example shows a number of independent cases using the TABULATE_REACTION (TAB) module to tabulate thermodynamic data for reactions.

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

These commands are of note and used in this example:

• TABULATE_REACTION
• DEFINE_SPECIES
• ENTER_FUNCTION
• QUICK_EXPERIMENTAL_PLOT
• SET_SCALING_STATUS
• LIST_SUBSTANCES
• TABULATE_SUBSTANCE

This example examines a heat balance when C₃H₈ is burned in oxygen by calculating the adiabatic flame temperature.

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

This example calculates a paraequilibrium and the T0 temperature in a low alloyed steel.

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

• REJECT
• RESTORE
• DEFINE_ELEMENTS
• AMEND_PHASE_DESCRIPTION
• EVALUATE_FUNCTIONS
• SET_START_CONSTITUTION

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:

• SET_INPUT_AMOUNTS
• LIST_CONDITIONS
• SET_CONDITION

This example calculates oxide layers on a steel.

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

These commands are of note and used in this example:

• SET_START_CONSTITUTION
• SET_REFERENCE_STATE
• APPEND_DATABASE

Calculation of a solubility product.

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

These commands are of note and used in this example:

• DEFINE_ELEMENTS
• REINITIATE_PLOT_SETTINGS
• SET_DIAGRAM_AXIS

This example shows how to enter parameters for a FACT quasichemical liquid model and how to calculate the sulfur activity using the GIBBS_ENERGY_SYSTEM (GES) module commands.

This example uses some GES commands that are not yet supported by GES6. Therefore, the example uses GES5.

These commands are of note and used in this example:

• ENTER_ELEMENT
• ENTER_SYMBOL
• AMEND_ELEMENT_DATA
• ENTER_PARAMETER
• ENTER_SPECIES
• SET_REFERENCE_STATE
• SHOW_VALUE