Pressure-Temperature-Volume EOS Data

You can use Pressure-Temperature-Volume Equation of State (EOS) data in the POP file. Such data includes, for example, molar volume, density, thermal expansion and bulk modulus/compressibility.

Example	ED_EXP commands
Volume of liquid Pt	CREATE_NEW_EQUILIBRIUM 1 1 CHANGE_STATUS PHASE LIQUID=ENT 1 SET_CONDITION P=101325 N=1 T=1873 EXPERIMENT VM=1.00758E-5:5%
Thermal expansion	CREATE_NEW_EQUILIBRIUM 1 1 CHANGE_STATUS PHASE FCC_A1=ENT 1 SET_CONDITION P=101325 N=1 T=400 ENTER_SYMBOL FUNCTION ALPHA=VM.T/VM/3; EXPERIMENT ALPHA=2.35E-5:5%

Example

ED_EXP commands

Volume of liquid Pt

CREATE_NEW_EQUILIBRIUM 1 1

CHANGE_STATUS PHASE LIQUID=ENT 1

SET_CONDITION P=101325 N=1 T=1873

EXPERIMENT VM=1.00758E-5:5%

Thermal expansion

CREATE_NEW_EQUILIBRIUM 1 1

CHANGE_STATUS PHASE FCC_A1=ENT 1

SET_CONDITION P=101325 N=1 T=400

ENTER_SYMBOL FUNCTION ALPHA=VM.T/VM/3;

EXPERIMENT ALPHA=2.35E-5:5%