Single Phase Mixing Enthalpies or Partial Enthalpies
You can use calorimetric data for mixing in the POP file. This data could be the result of, for example, drop calorimetry or scanning calorimetry. This includes data about, for example, enthalpy of mixing of liquids, series of mixing-enthalpy and about partial enthalpy. Information about enthalpies of mixing can also be derived from theoretical principles using special quasi-random structures (SQSs).
Example | ED_EXP commands |
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Enthalpy of mixing in the liquid state of an Au-Cu alloy |
CREATE_NEW_EQUILIBRIUM 1 1 CHANGE_STATUS PHASE LIQUID=FIX 1 SET_CONDITION T=1379 P=1E5 SET_CONDITION X(LIQUID,AU)=0.0563 SET_REFERENCE_STATE AU LIQ * 1E5 SET_REFERENCE_STATE CU LIQ * 1E5 EXPERIMENT HMR=-1520:200 |