About the Process Metallurgy Module

The Process Metallurgy Module is an Add-on Module to Thermo‑Calc and it is available in Graphical Mode as the Process Metallurgy Calculator. The Add-on Module is designed to model reactions that occur in metallurgical processes. Although primarily used in steelmaking and steel refining processes—such as basic oxygen furnaces, electric arc furnaces, ladle furnace metallurgy, and so forth—applications are not limited to steelmaking.

There are two main branches of calculations possible: Equilibrium and Process simulation. Equilibrium calculations do not consider any kinetics, the process simulation includes reaction kinetics.

In general, for both types, the main difference compared to using a standard Equilibrium Calculator is that it is easy to handle the different materials present in a metallurgical process. The materials used in the process can be pre-defined, saved and used for the equilibrium calculations. Metallic materials can be defined in element weight percent, oxide materials in weight percent of oxide components, the gas phase in volume percent of gas components and its amount can be defined in normal cubic meters, and so forth. In principle this can be done in a standard Equilibrium Calculator. However, it is much easier when using the Process Metallurgy Calculator as this is designed for this specific purpose.

When using the Equilibrium branch of calculations, both isothermal and adiabatic calculations are possible. Adiabatic calculations assume no heat and mass exchange with the environment during the equilibrium reaction, meaning that the temperature changes as a result of exothermal or endothermal reactions taking place.

For a Process simulation branch of calculation, the reaction kinetics of the process are considered. This is done by dividing the system into zones. Typically one would have one steel zone containing liquid metal and a slag zone containing liquid oxide (slag). The kinetic model assumes that only a fraction of the steel zone reacts with a fraction of the slag zone per time step. This reacting fraction of the whole system is termed the reaction zone (in literature it has become known as Effective Equilibrium Reaction Zone or EERZ).

You can use the Process Metallurgy Module to calculate the following:

  • The equilibrium between custom-defined steels, slags, and gasses.
  • The equilibrium between other metallic and non-metallic phases.
  • Desulfurization, dephosphorization, and decarburization.
  • Any partition coefficient, for example the partitioning of sulfur between the liquid steel and slag phase.
  • Slag characteristics, such as slag basicity or sulfur capacity.
  • The fraction of liquid and solid in the slag.
  • The temperature change in an adiabatic process.
  • Kinetics of the reaction between phases. Typically this is the reaction between a liquid metal and slag phase, but it could also be the reaction between a solid oxide and slag (simulation of refractory wear) or between a solid metal and liquid metal (simulation of dissolution of alloy), etc.

The Process Metallurgy Module requires both a valid Maintenance and Support Subscription (M&SS) and a license for the TCS Metal Oxide Solutions Database (TCOX8 or newer).

All users can test the Process Metallurgy Module with the included OXDEMO database, which is limited to these elements: Al, C, Ca, Fe, O, S, and Si. For more information about this and other products visit our website.