POTENTIAL_DIAGRAM

The POTENTIAL_DIAGRAM (POT or POTENTIAL) module is a potential phase diagram calculation module.

If you have a metal-oxide/sulphide-gas interaction system, you might want to calculate a so-called potential phase diagram given certain temperature and pressure. A potential diagram uses the activities of two major species in the gaseous mixture phase as mapping variables. The activities (that is, the fugacities at 1 bar) of these two species are typically set as the X- and Y-axis when the diagram is plotted. The phase relations between the gaseous mixture and various metal forms, metal-oxides, metal-sulphides, or other metal-bearing solids, are represented by different fields controlled by these two potential quantities.

To enter the module, at the SYS prompt type GOTO_MODULE POTENTIAL.

There are no commands for this module. Follow the prompts and see About Potential Diagrams for details about how to calculate using potential diagrams.

Syntax

POTENTIAL_DIAGRAM

Prompts

Database: /POT/

Press <Enter> and the program lists the available databases. Type one of the database names and press <Enter> to select. The following default elements are then based on the chosen database.

 

Matrix element: /Fe/

 

First potential species: /S1O2/

 

Second potential species: /O2/

 

Temperature: /1000/