Data About Systems of Different Orders
You might want to use data about systems of different orders in the same optimization, such as data about a binary equilibrium with components A and B in a ternary system with components A, B and C, together with data about equilibria in the binary system with components A and B. To do this, you must first suspend all components in the ternary system (A, B and C), and then set the two components you want binary information on (A and B) to status ENTERED
.
Suspending all components is done by giving the initialization code 0 to the CREATE_NEW_EQUILIBRIUM command. The components about which you want to use binary information must then be entered again using the CHANGE_STATUS command.
Example | ED_EXP commands |
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A binary (A-B) three-phase equilibrium (FCC-BCC-LIQ) in a 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 |