Simultaneous Use of Binary and Ternary Experiments

You can use experimental information about binary and ternary systems (as well as systems of even higher order) in the same POP file and optimization. To do this, you must inform the PARROT module that not all components of the ternary system (or system of even higher order) should be considered. This allows you, for example, to use experimental information about a binary equilibrium that exists within a ternary system.

Use CHANGE_STATUS with the keyword component and which components that should be entered. You should also give the initialization code 0 (rather than 1) to the CREATE_NEW_EQUILIBRIUM command. This code indicates that all components must be entered.

For example, the following set of ED_EXP commands characterises a binary (A-B) three-phase equilibrium (FCC-BCC-LIQ) in a ternary system (A-B-C). It can be used in a POP file that otherwise only contain experimental information about the ternary system (A-B-C):

CREATE_NEW_EQUILIBRIUM 1 0

CHANGE_STATUS COMPONENT A B = ENTERED

CHANGE_STATUS PHASE FCC BCC LIQ=FIX 1

SET_CONDITION P=1E5

EXPERIMENT T=1177:10

COMMENT from A-B