The FactSage FSnucl SGTE nuclear database

Summary

TO OBTAIN :

- A LIST OF all the unary, binary AND ternary SYSTEMS WHICH HAVE BEEN ASSESSED

- A LIST OF ALL ASSESSED phases IN EACH OF THE SYSTEMS

- A CALCULATED PHASE DIAGRAM FOR EACH OF THE LISTED BINARY SYSTEMS

- ASSiSTANCE WITH PHASE SELECTION

CLICK ON “List of optimized systems and calculated binary phase diagrams.”

General

The FSnucl database has been generated by Thermodata, Grenoble, as part of a much bigger database effort to cover many thermochemical aspects related to the field of nuclear reactors. The FSnucl database is specially made for the investigation of in-vessel chemical reactions. It is an SGTE approved database and has been converted for use with FactSage by GTT Technologies.

The FSnucl database should not be used in conjunction with any other FactSage database. FSnucl is a self-consistently evaluated database designed to be used independently of any other.

Please note that a separate database information document prepared by Thermodata is also supplied with

this database (Click on “Additional documentation from SGTE.”) In addition, an extended version of the text is available upon request. The longer version includes binary and ternary phase diagrams in which comparison is made of experimentally determined values with data calculated using the assessed parameters contained in the database. A full list of references is also included.

The elements included in the database are

O,  U,  Zr, Fe, Cr, Ni, Ar, H

Also included are systems formed among the 6 oxides

UO₂ - ZrO₂ - FeO - Fe₂O₃ - Cr₂O₃ - NiO

The database covers the entire composition range from pure metal to oxide regions and contains critically evaluated thermodynamic parameters for all relevant multicomponent condensed or gaseous substances and solution phases.

Condensed stoichiometric substances stored in the FSnucl compound database

(solid phase unless indicated L for liquid)

CrO₂     CrO₃ CrO₁₂      Cr₈O₂₁     Fe     FeHO₂      FeH₂O₂     FeH₃O₃      FeU₆      FeZr₂      FeZr₃

Fe₂H₂O₄     Fe₄Zr₁      H₂O(L)     H₂O₂(L)     H₂O₄U H₂Zr H₃U H₄O₅U     Ni     Ni₁₁Zr₉     NiU₆

NiZr     NiZr₂ Ni₂₁Zr₈      UNi₂      Ni₃Zr     Ni₅₇₅Zr₄₂₅      Ni₅U     Ni₅Zr     Ni₇₆₉U₂₃₁      Ni₇₇₈U₂₂₂      Ni₇U₅

Ni₇Zr₂      Ni₉U₇         O     O₂Zr(MONOCLINIC)     UO₃         U₃O₈      U₄O₉     U     Zr                 

Gaseous species stored in NUCLBASE.CDB

Ar     Cr     CrO     CrO₂       CrO₃       Cr₂       Fe     FeH₂O₂       FeO     Fe₂       H     HNi      HO     HZr     H₂

H₂NiO₂      H₂O     H₂O₂      Ni     NiO     O     OU     OZr     O₂       O₂U     O₂Zr     O₃       O₃U     U     Zr    Zr₂

Binary metal-based systems which have been assessed

Cr-Fe   Cr-Ni   Cr-O   Cr-U   Cr-Zr   Fe-Ni   Fe-O   Fe-U   Fe-Zr   Ni-O   Ni-U   Ni-Zr   O-U   O-Zr   U-Zr

Pseudo-binary oxide systems which have been assessed

Cr₂O₃-FeO     Cr₂O₃-Fe₂O₃        Cr₂O₃-NiO     Cr₂O₃-O₂U     Cr₂O₃-O₂Zr     FeO-Fe₂O₃         FeO-NiO       

FeO-O₂U     FeO-O₂Zr     Fe₂O₃-NiO     Fe₂O₃-O₂U     Fe₂O₃-O₂Zr     NiO-O₂U     NiO-O₂Zr     O₂U-O₂Zr

Ternary systems which have been assessed

Cr-Fe-Ni     Cr-Fe-O     Cr-Fe-Zr     Cr-Ni-O     Fe-Ni-O     Fe-O-U     Fe-O-Zr     Fe-U-Zr     O-U-Zr

General comments

Comparative calculations have been made for all the assessed binary and ternary systems contained in the database, with the purpose of checking the agreement with the experimentally observed properties for each system.  It should nevertheless be borne in mind that the amount of published information varies significantly both in quantity and quality from system to system so that, while every effort has been made to provide the best data possible, there is still a degree of uncertainty associated with calculated results. In particular, due to an absence of experimental data for the systems Cr₂O₃-UO₂, Cr₂O₃-ZrO₂, Fe₂O₃-ZrO₂, NiO-UO₂ and NiO-ZrO₂, it was necessary to use estimation techniques to obtain required values.  Consequently, particular care should be excercised in interpreting calculated results when these oxide combinations are involved.

In a binary system, if no assessed mixing parameters are available for a particular phase, the phase will be treated as ideal. Correspondingly, the properties of a ternary or higher-order phase will be calculated applying the appropriate models used in the database. This procedure may give useable results if the alloy compositions in question are close to a pure component or to a binary edge for which assessed data are available. However, results of calculations for other composition ranges should be treated with extreme caution.