Introduction

Apparent Gibbs Energy Conventions

HSC/SUPCRT Convention Conversion

Programs for Importing Data

Commonly used thermodynamic data files

Comment, numerical data, and keyword format

Header section

Title

Standard Variables

Tolerance

HSC_conversion

Components

Special components

Make definitions

End-of-header

Data entries

name and EoS keyword

molar composition

Standard formulation (EoS 1-4, 7-10, 13)

Integration constants G0, S0, V0

Heat capacity function, coefficients c1-c7

Volumetric function, coefficients b1-b8

V(P,T): EoS 1

V(P,T): EoS 7

T-dependent volumetric functions: EoS 2, 4

T-dependent volumetric functions: EoS 3

T-dependent volumetric functions and V(P,T): EoS 13

V(P,T), Murnaghan and Birch-Murnaghan: EoS 2-4

V(P,T), Tait: EoS 8, 9

V(P,T), Ideal gas: EoS 10

Shear modulus, coefficients m1-m3

Bulk modulus, coefficients k0-k2

Mie-Gruneisen formulation for solids (EoS 5-6)

Mie-Gruneisen formulation for liquids (EoS 11)

Explicit thermal disorder, coefficients d1-d9

Lambda and Mock-Lambda Transitions, coefficients t1-t10

UBC form

Standard form

Helgeson form

Landau form

Bragg-Williams form

Brosh/CALPHAD formulation (EoS 12)

Aqueous Species Anderson formulation (EoS 15)

Aqueous Species HKF formulation (EoS 16)

Special EoS (EoS > 100)

Bibliography

 

Figures:

Figure 1. Thermodynamic data file header section

Figure 2. Thermodynamic data entry