FactSage FTmisc miscellaneous database

Partial list of systems and phases

 

 

 

The following tables summarize the contents of the sections of the FactSage FTmisc database which pertain to the S-Fe-Ni-Co-Cr and Hg-Cd-Zn-Te systems in terms of the systems and phases included. The listings assist in phase selection for particular calculations by providing:

 

-   A LIST OF SOME binary, QUASIBINARY AND SYSTEMS WHICH HAVE BEEN ASSESSED

 

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

 

-   ASSiSTANCE WITH PHASE SELECTION

 

Phase diagrams have been calculated for the binary and pseudobinary systems using the assessed parameters contained in the database. The diagram for a particular system can be viewed by clicking on the system as listed in the tables 2 below. The diagrams contain the names of the stable phases in each system.

 

The phases listed for the binary and higher-order systems may be solution phases or stoichiometric compound phases (ST).  These must be selected from the FTmisc compound database unless otherwise indicated.  When there are two stable allotropes, these are indicated as (ST) and (ST2).

 

(I-option) the phase displays a miscibility gap; selection with the I-option is required.

 

 

 

Table 1: The S-Fe-Ni-Co-Cr-Mn System

 

This system has been recently evaluated and optimized with high precision for all phases, temperatures and compositions [4012, 4013, 4015].  This optimization is particularly useful for calculating metal/liquid sulfide/solid sulfide/gas equilibria, for example during hot corrosion or inclusion formation in steelmaking. The Cu-Fe-Ni-S quaternary system has been very accurately modeled over the entire composition range. The Co-S binary system and the Fe-Cr-S and Fe-Mn-S ternary systems have been well modeled over their entire composition ranges. Other ternary systems have been approximated using the models.

Phase selection: to calculate the following phase diagrams simply choose all compounds and all solutions except MATT and FeS_. Only phases which are stable in the chosen range of composition and properties will appear.

 

Binary systems:

 

Co-S, Condensed

MAT2 (I-option) 

Cr-S, Condensed

MAT2 (I-option)

 

Fe-S, Condensed

MAT2 (I-option)                     

 

Fe-S_fcc, solubility of sulfur in FCC and BCC

MAT2 (I-option)                     

 

Fe-S_1atm, at 1 atm

MAT2 (I-option)                     

Note: At high sulfur contents and high temperatures  P(S2) > 1.0 bar.  Use gas phase from FT53 or ELEM compound database to calculate this diagram.

 

Fe-S_pS2, log pS2 1/T diagram

MAT2 (I-option)                     

 

Ni-S, Condensed

MAT2 (I-option)                     

 

Ni-S_pS2, Log pS2 1/T diagram

MAT2 (I-option)                     

 

Cu-S, Condensed

MAT2 (I-option)                     

 

Cu-S_fcc, solubility of sulfur in FCC

MAT2 (I-option)                     

 

Mn-S, Condensed

MAT2 (I-option)                     

 

 

 

 

Pseudobinary systems:

 

CrS-FeS with excess metal (in calculated diagram, components were chosen as

Cr1.001S-Fe1.001S)

MAT2 (I-option), Pyrr(I-option)

 

Fe0.5Ni0.5-S

MAT2 (I-option) 

 

FeS-Ni3S2

MAT2 (I-option) 

 

FeS2-NiS2-S,with excess sulfur

MAT2 (I-option), MeS2 (I-option), 

 

Cu2S-FeS1.08

MAT2 (I-option), Dgnt (I-option)

 

Cu2S-CuFeS2

MAT2 (I-option), Dgnt (I-option)

 

CuFeS2-FeS1.08

MAT2 (I-option)

 

Cu5FeS4-S

MAT2 (I-option), Dgnt (I-option)

 

Ni3S2-Cu2S

MAT2 (I-option)

 

Cu-Ni-S_at_10wt%S (isopleth)

MAT2 (I-option), FCCS (I-option)

 

 

Ternary systems:

 

 

Cr-Fe-S_1000C, 1000C

MAT2 (I-option)

 

Cr-Fe-S_1370C, 1370C

MAT2 (I-option)

 

Cu-Fe-S_800C, 800C

MAT2 (I-option)

 

Cu-Fe-S_1000C, 1000C

MAT2 (I-option)

 

Cu-Fe-S_1350C, 1350C

MAT2 (I-option)

 

Cu-Ni-S_1200C, 1200C

MAT2 (I-option)

 

Fe-Mn-S_1300C, 1300C

MAT2 (I-option)

 

Fe-Mn-S_project, liquidus projection near Fe

MAT2 (I-option)

 

Fe-Ni-S_700C, 700C

MAT2 (I-option)

 

Fe-Ni-S_1000C, 1000C

MAT2 (I-option)

 

 

 

Table 2: The Hg-Cd-Zn-Te System

 

This system has been evaluated and optimized at all compositions.

 

The stoichiometric (ST) solid phases Cd, Te and Zn should be selected from either the FS53 or the ELEM compound database.  Select other stoichiometric phases from the FTmisc compound database.

 

 

 

Binary systems:

 

Cd-Hg

Only the Liq_Hg-Cd-Zn-Te phase has been optimized

 

Cd-Te

Liq_Hg-Cd-Zn-Te    Telluride    Cd(ST)

 

Cd-Zn

Liq_Hg-Cd-Zn-Te            Solid_Cd-Zn (I-option)

 

Hg-Te

Liq_Hg-Cd-Zn-Te    HgTe(ST)    Te(ST)

 

Hg-Zn

Liq_Hg-Cd-Zn-Te     Zn(ST)

 

Te-Zn

Liq_Hg-Cd-Zn-Te (I-option)        Telluride      Te(ST)    Zn(ST)

 

 

 

Quasibinary systems:

 

CdTe-HgTe

Liq_Hg-Cd-Zn-Te        Telluride

 

CdTe-ZnTe

Liq_Hg-Cd-Zn-Te        Telluride

 

HgTe-ZnTe

Liq_Hg-Cd-Zn-Te        Telluride