Databases

A range of databases of fundamental thermochemical data covering a wide variety of system types are available on request. These databases have been built up by experts over many years, chiefly through the critical assessment of primary experimental data.
For a personal printed copy of the databases, please fill in the database form, and we will be pleased to send it to you.

SGTE Databases

IET has been working in collaboration with SGTE, which is a consortium of centres engaged in the development of thermodynamic databases for inorganic and metallurgical systems and their application to practical problems.

The databases are compiled by a panel of experts by critically assessing data for pure substances and solutions of all types: aqueous, gases, alloys, mattes, slags, salts, oxides and semiconductor systems. The experts meet on a regular basis to ensure the continuous development of the databases. There are three SGTE databases currently available.

• SGTE Solution Database
• SGTE Pure Substance Database
• SGTE Unary Database

SGTE Solution Database contains data for multicomponent, non-ideal solution phases.

Elements included in the current version (3.01) of the database are:

Ag, Al, Am, As, Au, B, Ba, Be, Bi, C, Ca, Cd, Ce, Co, Cr, Cs, Cu, Dy, Er, Eu, Fe, Ga, Gd, Ge, Hf, Hg, Ho, In, Ir, K, La, Li, Lu, Mg, Mn, Mo, N, Na, Nb, Nd, Ni, Np, O, Os, P, Pa, Pb, Pd, Pr, Pt, Pu, Rb, Re, Rh, Ru, S, Sb, Sc, Se, Si, Sm, Sn, Ta, Tb, Te, Th, Ti, Tl, Tm, U, V, W, Tb, Zn, Zr.

Between these elements, there are assessed data for over 230 binary and higher-order combinations. For example, taking aluminium alone, there are data for liquid, solid-solution and stoichiometric phases in the following systems:

Al-Ag, Al-As, Al-Bi, Al-Ca, Al-Cr, Al-Cu, Al-Fe, Al-Ga, Al-Ge, Al-Hg, Al-In, Al-Mg, Al-Mn, Al-Ni, Al-P, Al-Pb, Al-Sb, Al-Si, Al-Sn, Al-Ti, Al-V, Al-Zn, Al-Ca-Si, Al-Mg-Si, Al-Si-Zn.

The database comprises:

• expression for the Gibbs energy (relative to the weighted sum of the enthalpies of the constituent elements) of the end-member species as a function of temperature.
• expressions for the excess Gibbs energy for any solution phases formed between the end-member species. These expressions are derived from various thermodynamic models.

The SGTE Pure Substance Database contains data for pure substances and gases. For each substance, the data consist of:

• the enthalpy of formation at 298.15 K relative to the pure elements
• the standard entropy at 298.15 K
• the temperature dependence of the heat capacity typically from 298.15 K (all data at a pressure of 101325 Pa in the IET implementation)
• temperatures and enthalpies of transition for non gaseous substances

These data allow the Gibbs energy of each substance to be calculated as a function of temperature and so enable software such as Thermo-Prop to perform thermophysical property calculations.

The present version of the pure substance database (version 10.0) contains assessed thermochemical data for over 4200 substances.

SGTE Unary Database contains data for around 78 elements in a form appropriate for phase diagram modelling. Assessed data are provided for stable and metastable phases for each element from 298.15 K, or in some cases 200 K. In some cases, additional terms are included to describe the pressure or magnetic contributions to the Gibbs energy.

The latest version of the UNARY database is version 4.4.

IET Databases

IET has worked with SGTE for a number of years, in conjunction with the light alloys projects. It's aims are the provison, maintenance and expansion of high quality databases, that enable the user to undertake complex calculations of thermophysical and physicochemical properties efficiently and reliably and also to enable cooperation in a broader international effort to unify thermal data and assessment methods.

The databases contain intrinsic informations of research works that were undertaken by experimentalists, physicists and metallurgists (i.e. materials scientists) over many years.

There are five IET databases currently available.

• IET Aluminium Database
• IET Database for Copper
• IET Database for Steels
• IET Dilute Solution Database for Iron
• IET Alloy solution database

IET Aluminium Database

This database is designed to allow calculations of phase equilibria to be carried out in Al-base alloys. It allows calculations in the 13 component system:

• Al-Ag-Cr-Cu-Fe-Mg-Mn-Nd-Ni-Si-Sn-Ti-Zn

The database includes pressure dependence of the Gibbs energy which allows calculations of the density and the effect of pressure on the phase diagram.

IET Database for Copper

This database is designed for use in the calculation of phase equilibria. Alloys containing the following elements may be considered:

• Cu-Ag-Al-Be-Co-Cr-Li-Fe-Mg-Mn-Ni-Pb-Si-Sn-Te-Ti-Zn-Zr

The database contains critically assessed thermodynamic data for the 18 elements and 197 binary and higher-order combinations. The database may be used to make predictions of liquidus temperatures and phase equilibria in systems containing these elements but the results are likely to most reliable close to the binary and ternary systems covered explicitly by the database. The database is valid for temperatures between 25 °C and 1600 °C.

IET Database for Steels

It contains database for systems relevant to steels.

The following system is covered:

• Fe-Al-B-C-Co-Cr-Cu-Mg-Mn-Mo-N-Nb-Ni-O-P-S-Si-Ti-V-W

and it is based on the complete set of critical assessments of binary and a large number of relevant ternary assessments with special emphasis on some higher order systems in the iron rich corner. The database is however eminently suitable for calculations in the iron rich corner with a Fe minimum of 60wt%.

IET Dilute Solution Database for Iron

This database contains data for the dilute solution of 26 elements in liquid iron modified according to the modified Wagner model. It can be used to calculate the solubility of trace elements in liquid iron in equilibrium with a gas phase or a slag.

IET Alloy Solution Database

The IET Alloy Solution Database is a general purpose database for the calculation of phase equilibria and thermophysical properties for a wide range of alloy systems. The database is particularly strong for steels, aluminium alloys and copper alloys and contains good coverage of binary data for high melting point systems.

The Alloy Solution Database incorporates the latest SGTE Unary data (v4.4) and contains data for 423 binary and ternary systems assessed and validated either at IET or within SGTE.