Entering Experimental Information

A POP file in Thermo‑Calc (*.POP) mainly consists of descriptions of equilibria, each equilibrium describing a data point that is based on an experiment from the existing literature on your system. An equilibrium is specified using ED_EXP commands.

The following is an example of a specification of an equilibrium with a single stable phase in the Au-Cu system. Equilibria with a single stable phase are often from experiments where enthalpies of mixing or chemical potentials have been measured.

CREATE_NEW_EQUILIBRIUM 1 1

CHANGE_STATUS PHASE LIQUID=FIX 1

SET_CONDITION T=1379 P=1E5 X(LIQUID,AU)=0.0563

SET_REFERENCE_STATE AU LIQ * 1E5

SET_REFERENCE_STATE CU LIQ * 1E5

EXPERIMENT HMR=-1520:200

COMMENT Measurement by Topor and Kleppa, Met trans 1984