SOLUTIONS IN FTsulf

[FTsulf-MAT2A] Liquid_Sulfide/Metal

LIQUID SULFIDE OR METAL SOLUTION

Molten sulfide and metal phase containing Fe-Ni-Cr-Co-Cu-Pb-Zn-O-S

at all compositions from pure metal to pure sulfur.

All other elements will be calculated as insoluble.

If both metal and sulfide liquids can be present, I option must be used.

Do not select simultaneously with any liquid metal or liquid sulfide solution from any database.

Refrain from selecting simultaneously with FTlite, FScopp or FSlead.

The solubility of oxygen in both sulfide and metal liquids has been optimized in the Fe-Ni-Co-Cu-O-S system. When Cr, Pb, Zn are present, the solubility of oxygen is extrapolated using the modified quasichemical model, which takes into account short-range-ordering. In the Cu-Fe-O-S system, FTsulf-MAT2 accurately describes sulfide, metal and oxide liquids, which can be completely miscible. J option must be used for such calculations. In general, if the conditions are not very reducing so that the oxide liquid either forms or is close to formation, it may be necessary to use J-option for FTsulf-MAT2 even if the oxide liquid is represented not by FTsulf-MAT2, but by the FToxid-SLAG solution. However, the J-option may considerably slow down calculations.

FTsulf-MAT2A is useful for calculating metal / sulfide liquid (matte) / oxide liquid (slag) / gas equilibria, particularly for copper and lead smelting or for hot corrosion.  In these calculations, the FTsulf-MAT2 solution describes both metal and matte using the I option, while the slag phase is selected from the FToxid database.  The slag can contain additional components such as SiO₂, Al₂O₃, CaO and MgO that tend to remain in the oxide phases and do not dissolve substantially in the sulfide phases. In particular, the effect of Al₂O₃, CaO and MgO in the fayalite slag on the distribution of Cu, Co, Ni, Pb and Zn between matte and slag can be calculated. The Fe-Ni-Co-Cu-Pb-Zn-S system has been accurately modeled.  For Cr, only the Cr-S and Fe-Cr-S subsystems have been optimized, so the other Cr-containing subsystems have been approximated using the models.

References: 4007, 4010, 4012, 4013, 4015, 4018, 4019, 4023, 4024, 4025, 4026, 4027, 4028

[FTsulf-MAT2B] Liquid_Sulfide

LIQUID SULFIDE SOLUTION

Molten sulfide and metal phase containing Cu-Fe-Pb-Zn-As-S

at all compositions from pure metal to pure sulfur.

All other elements will be calculated as insoluble.

Possible miscibility gaps.  Use I option.

Do not select simultaneously with any liquid metal or liquid sulfide solution from any database.

FTsulf-MAT2B is particularly useful for calculating the distribution of As among metal / sulfide liquid (matte) / oxide liquid (slag) / gas, particularly for copper and lead smelting particularly for copper and lead smelting.

[FTsulf-MAT2C] Liquid_Sulfide

LIQUID SULFIDE SOLUTION

Molten sulfide Fe-Mn-S

at all compositions from pure metal to pure sulfur.

All other elements will be calculated as insoluble.

Possible miscibility gaps.  Use I option.

Do not select simultaneously with any liquid metal or liquid sulfide solution from any database.

FTsulf-MAT2C is part of an optimization of the Fe-Mn-S system and is consistent with FTsulf-PyrrC, MS-c, -fccS, -bccS, as well as with the stoichiometric sulfides FeS, FeS₂ Fe₉S₁₀, Fe₇S₈, Fe₁₀S₁₁, Fe₁₁S₁₂, MnS, MnS₂ and solid S found in the FTsulf compound database.

This optimization is particularly useful for calculating metal/liquid sulfide/solid sulfide equilibria, for example for inclusion formation in steelmaking.

References: 4015, 4019, 4020

[FTsulf-MAT2?] Liquid_Sulfide

LIQUID SULFIDE SOLUTION

Molten sulfide and metal phase containing Cu-Fe-Ni-Co-Cr-Mn-Pb-Zn-As-O-S

at all compositions from pure metal to pure sulfur.

All other elements will be calculated as insoluble.

Possible miscibility gaps.  Use I option.

Do not select simultaneously with any liquid metal or liquid sulfide solution from any database.

FTsulf-MAT2? is integration of MAT2A, MAT2B and MAT2C. Because of the complexity of the models involved, the use of FTsulf-MAT2? is not encouraged. Nevertheless, the calculations with FTsulf-MAT2? may often be used as a first approximation in multicomponent systems, especially if the compositions of the metal and sulfide liquids are not too far from the ones covered by MAT2A, MAT2B and MAT2C.

[FTsulf-M3S2] Beta-Ni3S2

BETA NICKEL SULFIDE SOLID SOLUTION

Non-stoichiometric (Fe,Ni,Cu,Va)₂S beta nickel sulfide solid solution (high-temperature heazlewoodite). Homogeneity range near Me₃S₂

References: 4012, 4013, 4015, 4018, 4023, 4024, 4025, 4026

[FTsulf-PyrrA] Pyrrhotite

SOLID PYRRHOTITE SULFIDE SOLUTION

Pyrrhotite Non-stoichiometric high-T solid solution FeS-NiS-CrS-CoS

Note that solid FeS (troilite) and NiS (low temperature NiS) in the FTsulf compound database are NOT the end member components of the pyrrhotite solution, but are separate stoichiometric phases with different crystal structures.

Miscibility gap.  Use I option.

References: 4012, 4013, 4015, 4018

[FTsulf-PyrrB] Pyrrhotite

SOLID PYRRHOTITE SULFIDE SOLUTION

Pyrrhotite Non-stoichiometric high-T solid solution FeS-NiS-(-CuS)

Note that solid FeS (troilite) and NiS (low temperature NiS) in the FTsulf compound database are NOT the end member components of the pyrrhotite solution, but are separate stoichiometric phases with different crystal structures.

Miscibility gap.  Use I option.

The Cu-Fe-Ni-S quaternary system has been very accurately modeled over the entire composition range. 

References: 4012, 4013, 4015, 4018, 4023, 4024, 4025, 4026

[FTsulf-PyrrC] Pyrrhotite

SOLID PYRRHOTITE SULFIDE SOLUTION

Pyrrhotite Non-stoichiometric high-T solid solution FeS-(-MnS)

Note that solid FeS (troilite) in the FTsulf compound database is NOT the end member component of the pyrrhotite solution, but is a separate stoichiometric phase with different crystal structure.

Miscibility gap.  Use I option.

The Fe-Mn-S ternary system has been well modeled over the entire composition range.

References: 4015, 4019, 4020

[FTsulf-Pyrr?] Pyrrhotite

SOLID PYRRHOTITE SULFIDE SOLUTION

Pyrrhotite Non-stoichiometric high-T solid solution FeS-NiS-CrS-CoS(-CuS-MnS)

Note that solid FeS (troilite) and NiS (low temperature NiS) in the FTsulf compound database are NOT the end member components of the pyrrhotite solution, but are separate stoichiometric phases with different crystal structures.

Miscibility gap.  Use I option.

FTsulf-Pyrr? is integration of PyrrA, PyrrB and Pyrr2C. Because of the complexity of the models involved, the use of FTsulf-Pyrr? is not encouraged. Nevertheless, the calculations with FTsulf-Pyrr? may often be used as a first approximation in multicomponent systems.

[FTsulf-MeS2] (Fe,Ni,Cu)S2

SOLID FeS₂-NiS₂-CuS₂ SOLUTION

MeS2 solid solution FeS2(pyrite)-NiS2(vaesite)-(CuS2). Possible mis. gap (I option)

Solubility of CoS2, MnS2 in this phase has not been modeled, but could be large 

The Cu-Fe-Ni-S quaternary system has been very accurately modeled over the entire composition range.

References: 4012, 4013, 4015, 4018, 4023, 4024, 4025, 4026

[FTsulf-Pent] Pentlandite

(Fe,Ni,Cu)₉S₈ PENTLANDITE SOLID SOLUTION

Solid solution of Fe₉S₈ , Cu₉S₈ and Ni₉S₈ with the pentlandite structure

Note that the stability range of this solution does not extend to pure Ni₉S₈. The stoichiometric compound Ni₉S₈ found in the FTsulf compound database is not the end member component of the pentlandite solution, but is a separate stoichiometric phase with a different crystal structure.

The Cu-Fe-Ni-S quaternary system has been very accurately modeled over the entire composition range.

References: 4012, 4013, 4015, 4018, 4023, 4024, 4025, 4026

[FTsulf-CuMS]  – Intermediate solution Cu-Fe-Ni-S.

CuS-MeS NONSTOICHIOMETRIC

This ternary solution phase does not emanate from any of the sub-binary systems and is denoted as CuMS (intermediate solid solution) in the literature. A cubic-sphalerite-type structure reported.

The Cu-Fe-Ni-S quaternary system has been very accurately modeled over the entire composition range.

References: 4012, 4013, 4015, 4018, 4023, 4024, 4025, 4026

[FTsulf-Cove] – Covelite      

CuS-FeS based solution with CuS as major component

Covellite CuS-(FeS) solid solution with CuS as major component

The Cu-Fe-Ni-S quaternary system has been very accurately modeled over the entire composition range.

References: 4012, 4013, 4015, 4018, 4023, 4024, 4025, 4026

[FTsulf-Dgnt] – Digenite/Bornite

Cu_2-xS-NiS-FeS-PbS-ZnS solid solution.

Digenite Cu(2-x)S-(NiS-FeS-PbS-ZnS) Digenite/Bornite solid solution

Possible miscibility gap (use I-optiion)

The Cu-Fe-Ni-S quaternary system has been very accurately modeled over the entire composition range.

References: 4012, 4013, 4015, 4018, 4023, 4025, 4026

[FTsulf-Vill] – Villamaninite

FeS₂-NiS₂-CuS₂ solid solution

Villamaninite (Cu,Ni,Co,Fe)S2 solid solution

The Cu-Fe-Ni-S quaternary system has been very accurately modeled over the entire composition range.

References: 4012, 4013, 4015, 4018, 4023, 4024, 4025, 4026

[FTsulf-Mill] – Millerite

NiS-CuS solid solution

NiS-(CuS) Millerite low-T solid solution dilute in CuS

The Cu-Fe-Ni-S quaternary system has been very accurately modeled over the entire composition range.

References: 4012, 4013, 4015, 4018, 4023, 4024, 4025, 4026

[FTsulf-SpiS] – Polydymite

Ni₃S₄-Cu₃S₄ thiospinel

Thiospinel Polydymite Ni3S4-(Cu3S4)                                                                                            

The solubility of Fe,Cr,Co,Zn in this phase has not been modeled yet, but could be large.

References: 4012, 4013, 4015, 4018

[FTsulf-SPHA] Sphalerite

SOLID SPHALERITE SOLUTION

ZnS-FeS (dilute in FeS) solid solution

Low temperature modification

Optimized principally to calculate equilibria with FTsulf-MAT2.

References: 4010

[FTsulf-WURT] Wurtzite

SOLID WURTZITE SOLUTION

ZnS-FeS (dilute in FeS) solid solution

High temperature modification

Valid only when rich in ZnS.

Optimized principally to calculate equilibria with FTsulf-MAT2.

References: 4010

[FTsulf-MS-c] MeS_cubic

(Mn,Fe,Ca,Mg,Cr,Pb,Cu)S solution with cubic rocksalt structure

MnS-PbS-CaS-MgS (dilute in FeS, CrS, Cu2S) solid solution

Optimized principally to calculate equilibria with FTsulf-MAT2 or FToxid-SLAGA.

References: 4019, 4029

[FTsulf-FCCS] fcc_Co-Cr-Cu-Fe-Mn-Ni-Pb-Zn-As-O-S

FCC ALLOY CONTAINING SULFUR AND OXYGEN

fcc metal solution Co-Cr-Cu-Fe-Mn-Ni-Pb-Zn, dilute As,O,S

Miscibility gap.  Use I option.

Do not select simultaneously with any other fcc alloy phase from any database.

The solubility of oxygen in Fe, Cu and Co has been optimized. When other components are present, the very small solubility of oxygen is extrapolated using the modified quasichemical model, which takes into account short-range-ordering.

References: 4012, 4013, 4015, 4018, 4019, 4023, 4024, 4025, 4026

[FTsulf-BCCS] bcc_Co-Cr-Cu-Fe-Mn-Ni-Pb-Zn-As-O-S

BCC ALLOY CONTAINING SULFUR AND OXYGEN

bcc metal solution Co-Cr-Cu-Fe-Mn-Ni-Pb-Zn, dilute As,O,S

Do not select simultaneously with any other bcc alloy phase from any database.

The solubility of oxygen in Fe has been optimized. When other components are present, the very small solubility of oxygen is extrapolated using the modified quasichemical model, which takes into account short-range-ordering.

References: 4012, 4013, 4015, 4018, 4019, 4023, 4024, 4025, 4026