Naming conventions

This page describes the naming terminology used in the output dataframes.

Thermodynamic properties

The keys _prop (like liquid1_prop) return the thermodynamic properties of each phase.

Name

Description

mass_g_{phase}

Mass in g of each phase (see equation below)

rho_kg/m3_{phase}

Density of phase in kg/m3

V_cm3_{phase}

Volume of phase in cm3

G_J_{phase}

Gibbs free energy in J of the phase

H_J_{phase}

Enthalpy in J of the phase

S_J/K_{phase}

Entropy in J/K of the phase

Cp_J/kg/K_{phase}

Specific heat capacity of the phase, J/(kg.K)

dCpdT_J/(kg.K^2)_{phase}

Partial derivative of specific heat capacity with respect to temperature, J/(kg.K^2)

dVdT_cm^3/K_{phase}

Partial derivative of phase volume with respect to temperature at constant pressure (cm^3/K)

dPdT_bar/K_{phase}

Partial derivative of pressure with respect to temperature at constant volume (bar K⁻¹)

d2VdT2_cm^3/K^2_{phase}

Second partial derivative of phase volume with respect to temperature at constant pressure (cm^3 K^-2)

d2VdTdP_cm^3/(bar.K)_{phase}

Mixed second partial derivative of phase volume with respect to temperature and pressure (cm^3 bar^-1 K^-1)

d2VdP2_cm^3/bar^2_{phase}

Second partial derivative of phase volume with respect to pressure at constant temperature (cm^3 bar^-2)

Then per oxide and per phase, the following are given:

Name

Description

activity_{oxide}_{phase}

Activity of each oxide in the phase (e.g. activity_Na2O_Liq is activity of Na2O in liquid)

activity0_{oxide}_{phase}

Standard State activity of each oxide in the phase (e.g. activity0_Na2O_Liq is standard state activity of Na2O in liquid)

mu_{oxide}_{phase}

Chemical potential of the oxide in the phase, Na2O in liquid, in J/mol)

mu0_{oxide}_{phase}

Standard State Chemical potential of the oxide in the phase, Na2O in liquid, in J/mol)

X_{oxide}_{phase}

Mole fraction of the oxide in the phase.