DEFINE_COMPONENTS

This command is available with the POLY and ED-EXP modules.

Change the set of components. By default, the elements are used as components. The set of components can be important because some conditions are set using components, for example, the amounts, activities or chemical potentials.

For example, in the system Fe-Si-O, you can define FEO, FE2O3 and SIO2 as components, thus replacing the default FE, SI and O.

This implies a command REINITIATE_MODULE and it should be given as the first command in the POLY module.

Syntax

DEFINE_COMPONENTS

Prompt

Give all new components / existing components/: <New components>

The new components must be specified all on one line. These replace the existing component definitions.

The number of components cannot be changed with this command. Use CHANGE_STATUS instead.

 

To keep some existing components, it is recommended that you also enter these on the line. Otherwise, the added new components may not be defined correctly. This is especially important if some components are built out of several elements.

The new components do not have to be present as species.