­­SOLUTIONS IN FTmisc

  

 

[FTmisc-BCCS] bcc_Cu-Fe-Ni-Co-Cr-Mn-S

BCC ALLOY CONTAINING SULFUR

 

Cu-Fe-Ni-Co-Cr-S bcc solution with a new optimization to reproduce the observed solubility of sulfur in bcc alloy.

 

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

 

FTmisc-BCCS is part of a recent (2010) optimization of the S-Cu-Fe-Ni-Cr-Co-Mn system and is consistent with FTmisc-M3S2, -MAT2, -Poly, -Pyrr, -MeS2, -Fe9S, -FCrS, -CuMS, -Cove, -Dgnt, -Vill, -Mill, -SpiS, MS-c, -Pent, -fccS,  as well as with the stoichiometric sulfides Cr2S3, NiS, NiS2, Ni3S2, Ni3S4, Ni7S6, Ni9S8, FeS, FeS2 Fe9S10, Fe7S8, Fe10S11, Fe11S12, FeCr2S4, CoS2, Co3S4, Co9S8, CuS, Cu2S, CuFeS2, CuFe2S3, Cu3FeS4, Cu3FeS8, Cu4Fe5S8, Cu9Fe8S16,Cu9Fe9S16, Cu11Fe2S13, MnS, MnS2 and solid S found in the FTmisc compound database. This optimization is particularly useful for calculating metal/liquid sulfide/solid sulfide/gas equilibria, for example during hot corrosion.  The Cu-Fe-Ni-S quaternary system has been very accurately modeled over the entire composition range.  The Cr-S and Co-S binary systems 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.

 

References: 4012, 4013, 4015, 4018, 4019

 

 

[FTmisc-CdLQ] Cd-liq

LIQUID ALLOY

 

Cd-Zn-Na-Pb; dilute Tl-Ga-O

Valid only when rich in Cd if Tl, Ga or O are present.

 

Not optimized to be consistent with solid metallic solutions except FTmisc-CdZn.

Do not select simultaneously with any other liquid metallic solution or with solutions from databases other than FTmisc.

 

 

[FTmisc-CdZn] Solid_Cd-Zn

SOLID Cd-Zn SOLUTION

 

Cd-Zn solid solution

 

Primarily intended for use with FTmisc-HCZT and either FTmisc-TeHg or FTmisc-TeCZ for calculating phase equilibria in the Hg-Cd-Zn-Te system.

Also consistent with FTmisc-CdLQ and FTmisc-ZnLQ.

 

Large miscibility gap.  Use I option.

 

Do not select simultaneously with a metallic solution from any database other than FTmisc.

 

 

[FTmisc-Cove] – Covelite      

CuS-FeS based solution with CuS as major component

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

FTmisc-Cove is part of a recent (2010) optimization of the S-Cu-Fe-Ni-Cr-Co-Mn system and is consistent with FTmisc-M3S2, -MAT2, -Poly, -Pyrr, -MeS2, -Fe9S, -FCrS, -bccS, -CuMS, -Dgnt, -Vill, -Mill, -SpiS, MS-c, -Pent, -fccS,  as well as with the stoichiometric sulfides Cr2S3, NiS, NiS2, Ni3S2, Ni3S4, Ni7S6, Ni9S8, FeS, FeS2 Fe9S10, Fe7S8, Fe10S11, Fe11S12, FeCr2S4, CoS2, Co3S4, Co9S8, CuS, Cu2S, CuFeS2, CuFe2S3, Cu3FeS4, Cu3FeS8, Cu4Fe5S8, Cu9Fe8S16,Cu9Fe9S16, Cu11Fe2S13, MnS, MnS2 and solid S found in the FTmisc compound database. This optimization is particularly useful for calculating metal/liquid sulfide/solid sulfide/gas equilibria, for example during hot corrosion.  The Cu-Fe-Ni-S quaternary system has been very accurately modeled over the entire composition range.  The Cr-S and Co-S binary systems 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.

 

References: 4012, 4013, 4015, 4018, 4019

 

 

[FTmisc-Cu2S] Cu2S-s.s.

SOLID Cu2S SOLUTION

 

Cu2S-PbS-ZnS (rich in Cu2S) solid solution

High temperature modification

 

Valid only when rich in Cu2S.

Optimized principally to calculate equilibria with FTmisc-MATT.

Do not use to calculate equilibria with FTmisc-MAT2.

 

References: 4007, 4010

 

 

[FTmisc-CuLQ] Cu-liq_or_speiss

LIQUID ALLOY

 

Liquid alloy Cu-Pb-Zn-As-Fe-Ni-Au-S-O

Valid for <50 mol% As, <15% S, <10 % O

May also be used as a speiss phase even in the absence of Cu

 

FTmisc-CuLQ is designed for calculation of matte/slag/metal equilibria and is consistent with FToxid-SLAG and FTmisc-FeCu. 

It is consistent with FTmisc-MATT as long as the matte contains enough Cu2S that the matte and liquid metal phases are not completely miscible.

FTmisc-CuLQ has not been optimized to be consistent with any solid metallic phases other than FTmisc-FeCu.  It may also be used as a speiss phase in which case it is consistent with FTmisc-PbLQ.

Interactions of oxygen are modeled only for Cu-O and Pb-O interactions. With Au, only the Cu-Au binary has been evaluated.

 

Do not select FTmisc-CuLQ simultaneously with metallic solutions from databases other than FTmisc.

Do not select simultaneously with any other liquid metal phase (except FTmisc-PbLQ when FTmisc-CuLQ is used as a speiss phase).

 

For calculation of equilibria between liquid copper and solid metallic alloys, the database FScopp will give better results and a much larger range of solutes.  However, for calculating matte/slag/metal equilibria, you should use FTmisc-CuLQ.

 

References: 4006, 4007, 4008, 4009, 4010, 6019

 

 

[FTmisc-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.

FTmisc-CuMS is part of a recent (2010) optimization of the S-Cu-Fe-Ni-Cr-Co-Mn system and is consistent with FTmisc-M3S2, -MAT2, -Poly, -Pyrr, -MeS2, -Fe9S, -FCrS, -bccS, -Cove, -Dgnt, -Vill, -Mill, -SpiS, MS-c, -Pent, -fccS,  as well as with the stoichiometric sulfides Cr2S3, NiS, NiS2, Ni3S2, Ni3S4, Ni7S6, Ni9S8, FeS, FeS2 Fe9S10, Fe7S8, Fe10S11, Fe11S12, FeCr2S4, CoS2, Co3S4, Co9S8, CuS, Cu2S, CuFeS2, CuFe2S3, Cu3FeS4, Cu3FeS8, Cu4Fe5S8, Cu9Fe8S16,Cu9Fe9S16, Cu11Fe2S13, MnS, MnS2 and solid S found in the FTmisc compound database. This optimization is particularly useful for calculating metal/liquid sulfide/solid sulfide/gas equilibria, for example during hot corrosion.  The Cu-Fe-Ni-S quaternary system has been very accurately modeled over the entire composition range.  The Cr-S and Co-S binary systems 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.

 

References: 4012, 4013, 4015, 4018, 4019

 

 

[FTmisc-Dgnt] – Digenite/Bornite

Cu2+xS-NiS-FeS solid solution.

 

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

Possible miscibility gap (use I-optiion)

 

FTmisc-Dgnt is part of a recent (2010) optimization of the S-Cu-Fe-Ni-Cr-Co-Mn system and is consistent with FTmisc-M3S2, -MAT2, -Poly, -Pyrr, -MeS2, -Fe9S, -FCrS, -bccS, -CuMS, -Cove, -Vill, -Mill, -SpiS, MS-c, -Pent, -fccS,  as well as with the stoichiometric sulfides Cr2S3, NiS, NiS2, Ni3S2, Ni3S4, Ni7S6, Ni9S8, FeS, FeS2 Fe9S10, Fe7S8, Fe10S11, Fe11S12, FeCr2S4, CoS2, Co3S4, Co9S8, CuS, Cu2S, CuFeS2, CuFe2S3, Cu3FeS4, Cu3FeS8, Cu4Fe5S8, Cu9Fe8S16,Cu9Fe9S16, Cu11Fe2S13, MnS, MnS2 and solid S found in the FTmisc compound database. This optimization is particularly useful for calculating metal/liquid sulfide/solid sulfide/gas equilibria, for example during hot corrosion.  The Cu-Fe-Ni-S quaternary system has been very accurately modeled over the entire composition range.  The Cr-S and Co-S binary systems 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.

 

References: 4012, 4013, 4015, 4018, 4019

 

 

[FTmisc-FCCS] fcc_Cu-Fe-Ni-Co-Cr-Mn-S

FCC ALLOY CONTAINING SULFUR

 

Cu-Fe-Ni-Co-Cr-Mn-S fcc solution with a new optimization to reproduce the observed solubility of sulfur in fcc alloy.

Miscibility gap.  Use I option.

 

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

 

FTmisc-FCCS is part of a recent (2010) optimization of the S-Cu-Fe-Ni-Cr-Co-Mn system and is consistent with FTmisc-M3S2, -MAT2, -Poly,-Pyrr, -MeS2, -Fe9S, -FCrS, -CuMS, -Cove, -Dgnt, -Vill, -Mill, -SpiS, MS-c, -Pent, -bccS,  as well as with the stoichiometric sulfides Cr2S3, NiS, NiS2, Ni3S2, Ni3S4, Ni7S6, Ni9S8, FeS, FeS2 Fe9S10, Fe7S8, Fe10S11, Fe11S12, FeCr2S4, CoS2, Co3S4, Co9S8, CuS, Cu2S, CuFeS2, CuFe2S3, Cu3FeS4, Cu3FeS8, Cu4Fe5S8, Cu9Fe8S16,Cu9Fe9S16, Cu11Fe2S13, MnS, MnS2 and solid S found in the FTmisc compound database. This optimization is particularly useful for calculating metal/liquid sulfide/solid sulfide/gas equilibria, for example during hot corrosion.  The Cu-Fe-Ni-S quaternary system has been very accurately modeled over the entire composition range.  The Cr-S and Co-S binary systems 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.

 

References: 4012, 4013, 4015, 4018, 4019

 

 

[FTmisc-FeCu] fcc_Fe-Cu

SOLID ALLOY

Solid binary fcc solution Fe-Cu with < 20% Cu.

For use with FTmisc-MATT and FTmisc-CuLQ. Do not use with FTmiscMAT2

Do not select simultaneously with any metallic phase from any database other than FTmisc. 

 

References: 4008

 

 

[FTmisc-FeLQ] Fe-liq

LIQUID Fe ALLOY

 

Liquid Fe containing Ag,Al,B,Ba,C,Ca,Ce,Co,Cr,Cu,H,Hf,La,Mg,Mn,Mo,N,Nb,Nd,Ni,O,P,Pb,Pd,S,Si, Sn,Ta,Th,Ti,U,V,W,Zr  [FTmisc-FeLQ]

 

This phase has been updated in FactSage 6.0; it is no longer identical to the liquid iron phase in the FSstel database.  This phase is better suited for calculations involving iron and steelmaking processes, whereas the liquid iron phase in the FSstel database is better suited for calculations involving solidification of alloys.  This phase has been evaluated and optimized for iron-rich solutions only (and is not for calculations involving stainless steels, for example).

 

Takes into account the "M*O associate" model [ 4014] (as well as a similar model for sulfide associates) and so will give good calculations of deoxidation equilibria for strong deoxidants when used with FToxid-SLAG and solid solutions and stoichiometric phases from the FToxid databases.

 

Do not select simultaneously with any other liquid metallic solution.

 

References: 4014

 

 

[FTmisc-FeS_] FeS-liq

LIQUID FeS SOLUTION

 

Liquid FeS with Fe-FeO-MgS-MnS-TiS-Na2S in dilute solution.

 

Valid only when rich in FeS.

 

FTmisc-FeS_ is designed only for certain specialized applications.  For most applications such as smelting or hot corrosion, use FTmisc-MATT or FTmisc-MAT2.

The overall accuracy of FTmisc-FeS is relatively low.

 

Do not select simultaneously with FTmisc-MATT or FTmisc-MAT2 or with any liquid metal solution.

 

 

[FTmisc-HCZT] Liq_Hg-Cd-Zn-Te

LIQUID Hg-Cd-Zn-Te SOLUTION

 

Liquid Hg-Cd-Zn-Te alloy

 

Primarily intended for use with FTmisc-CdZn and either FTmisc-TeHg or FTmisc-TeCZ for calculating phase equilibria in the Hg-Cd-Zn-Te system.

 

Possible small miscibility gap near 30 mol % Te, 70 mol % Zn.  Use I option.

 

Do not select simultaneously with any other liquid metallic solution or with any metallic solution from any database other than FTmisc.

 

 

 

[FTmisc-M3S2] Beta-Ni3S2

BETA NICKEL SULFIDE SOLID SOLUTION

 

Non-stoichiometric (Ni,Fe,Cu)2S(1+-x) beta nickel sulfide solid solution (high-temperature heazlewoodite). Homogeneity range near Me3S2

 

FTmisc-M3S2 is part of a recent (2010) optimization of the S-Cu-Fe-Ni-Cr-Co-Mn system and is consistent with FTmisc-Pyrr, -MAT2, -MeS2, -Poly, -Pent, -Fe9S, -FCrS, -CuMS, -Cove, -Dgnt, -Vill, -Mill, -SpiS, MS-c, -fccS, -bccS,  as well as with the stoichiometric sulfides Cr2S3, NiS, NiS2, Ni3S2, Ni3S4, Ni7S6, Ni9S8, FeS, FeS2 Fe9S10, Fe7S8, Fe10S11, Fe11S12, FeCr2S4, CoS2, Co3S4, Co9S8, CuS, Cu2S, CuFeS2, CuFe2S3, Cu3FeS4, Cu3FeS8, Cu4Fe5S8, Cu9Fe8S16,Cu9Fe9S16, Cu11Fe2S13, MnS, MnS2 and solid S found in the FTmisc compound database. This optimization is particularly useful for calculating metal/liquid sulfide/solid sulfide/gas equilibria, for example during hot corrosion.  The Cu-Fe-Ni-S quaternary system has been very accurately modeled over the entire composition range.  The Cr-S and Co-S binary systems 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.

 

References: 4012, 4013, 4015, 4018, 4019

 

 

[FTmisc-MAT2A] Liquid_Sulfide

LIQUID SULFIDE SOLUTION

 

Molten sulfide S-Fe-Ni-Cr-Co

at all compositions from pure metal to pure sulfur.

 

All other elements will be calculated as insoluble.

If  Pb, Zn or As are present in appreciable amounts, use FTmisc-MATT.

 

Possible miscibility gaps.  Use I option.

 

Do not select simultaneously with FTmisc-MATT, FTmisc-FeS_ or any liquid metal solution.

 

FTmisc-MAT2 is part of 2005-2008 optimization of the S-Fe-Ni-Cr-Co system and is consistent with FTmisc-PyrrA, -M3S2, -MeS2, -Pent, -Dgnt, -Vill, -SpiS, -fccS, -bccS, as well as with the stoichiometric sulfides Cr2S3, NiS, NiS2, Ni3S2, Ni3S4, Ni7S6, Ni9S8, FeS, FeS2 Fe9S10, Fe7S8, Fe10S11, Fe11S12, FeCr2S4, CoS2, Co3S4, Co9S8  and solid S found in the FTmisc compound database.

This optimization is particularly useful for calculating metal/liquid sulfide/solid sulfide/gas equilibria, for example during hot corrosion.  The Fe-Ni-S ternary system has been very accurately modeled over the entire composition range.  The Cr-S and Co-S binary systems and the Fe-Cr-S ternary system have been well modeled over their entire composition ranges.  Other ternary systems have been approximated using the models.

 

References: 4012, 4013, 4015, 4018

 

 

[FTmisc-MAT2B] Liquid_Sulfide

LIQUID SULFIDE SOLUTION

 

Molten sulfide S-Cu-Fe-Ni

at all compositions from pure metal to pure sulfur.

 

All other elements will be calculated as insoluble.

If  Pb, Zn or As are present in appreciable amounts, use FTmisc-MATT.

 

Possible miscibility gaps.  Use I option.

 

Do not select simultaneously with FTmisc-MATT, FTmisc-FeS_ or any liquid metal solution.

 

FTmisc-MAT2B is part of a recent (2009) optimization of the S-Cu-Fe-Ni system and is consistent with FTmisc-PyrrB, -M3S2, -MeS2, -Pent, -CuMS, -Cove, -Dgnt, -Vill, -Mill, -SpiS, -fccS, -bccS, as well as with the stoichiometric sulfides NiS, NiS2, Ni3S2, Ni3S4, Ni7S6, Ni9S8, FeS, FeS2 Fe9S10, Fe7S8, Fe10S11, Fe11S12, CuS, Cu2S, CuFeS2, CuFe2S3, Cu3FeS4, Cu3FeS8, Cu4Fe5S8, Cu9Fe8S16,Cu9Fe9S16, Cu11Fe2S13  and solid S found in the FTmisc compound database.

This optimization is particularly useful for calculating metal/liquid sulfide/solid sulfide/gas equilibria, for example during hot corrosion.  The Cu-Fe-Ni-S quaternary system has been very accurately modeled over the entire composition range. 

 

References: 4012, 4013, 4015, 4018

 

 

[FTmisc-MAT2C] Liquid_Sulfide

LIQUID SULFIDE SOLUTION

 

Molten sulfide S-Fe-Mn

at all compositions from pure metal to pure sulfur.

 

All other elements will be calculated as insoluble.

If  Pb, Zn or As are present in appreciable amounts, use FTmisc-MATT.

 

Possible miscibility gaps.  Use I option.

 

Do not select simultaneously with FTmisc-MATT, FTmisc-FeS_ or any liquid metal solution.

 

FTmisc-MAT2C is part of a recent (2010) optimization of the S-Fe-Mn system and is consistent with FTmisc-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 FTmisc compound database.

This optimization is particularly useful for calculating metal/liquid sulfide/solid sulfide equilibria, for example for inclusion formation in steelmaking. Fe-Mn-S ternary systems have been well modeled over their entire composition ranges.

 

References: 4012, 4013, 4015, 4018, 4019

 

 

 [FTmisc-MAT2?] Liquid_Sulfide

LIQUID SULFIDE SOLUTION

 

Molten sulfide S-Cu-Fe-Ni-Cr-Co-Mn

at all compositions from pure metal to pure sulfur.

 

All other elements will be calculated as insoluble.

If  Pb, Zn or As are present in appreciable amounts, use FTmisc-MATT.

 

Possible miscibility gaps.  Use I option.

 

Do not select simultaneously with FTmisc-MATT, FTmisc-FeS_ or any liquid metal solution.

 

FTmisc-MAT2? is integration of MAT2A, MAT2B and MAT2C. Because of the complexity of the models involved, the use of FTmisc-MAT2? is not encouraged. Nevertheless, the calculations with FTmisc-MAT2? may often be used as a first approximation in multicomponent systems.

 

 

 [FTmisc-MATT] Matte

LIQUID SULFIDE SOLUTION

 

Liquid solution:  S-Cu-Fe-Ni-Co-Pb-Zn-As

(all other elements will be calculated to be insoluble)

Valid for 30-60 mol% S

               <10 mol % As

                500 – 1600o C

 

Possible miscibility gap.  Use I option.

 

Do not select FTmisc-MATT simultaneously with FTmisc-MAT2 or with any liquid metal phase from any database other than FTmisc-CuLQ or FTmisc-PbLQ.

 

FTmisc-MATT is designed for calculation of matte/slag/metal equilibria and is consistent with FToxid-SLAG, FTmisc-CuLQ and FTmisc-PbLQ.  However, it has not been optimized to be consistent with any solid sulfide phases other than FTmisc-SPHA, FTmisc-WURT, FTmisc-Cu2S, and solid PbS, ZnS and FeS from the FT53 compound database.  Therefore, calculations of equilibria between liquid matte and any other solid sulfide phases will be only approximate. For calculation of equilibria between liquid and solid sulfide phases use FTmisc-MAT2 instead.

 

FTmisc-MATT can be used only for mattes containing between approximately 30 and 60 mol % sulfur.  In most cases (even when the metal phase contains little Cu), matte-(liquid metal) equilibria are best calculated by selecting FTmisc-MATT and FTmisc-CuLQ.  If the metal phase is very rich in Pb, then FTmisc-PbLQ may be used instead of FTmisc-CuLQ.  However, in all cases if the matte phase contains so little Cu2S that the matte and liquid metal phases are completely miscible, then calculations with simultaneous selection of FTmisc-MATT and either FTmisc-CuLQ or FTmiscPbLQ will give erroneous results.

 

If Cu, Pb, Zn or As are present in appreciable amounts, then you must use FTmisc-MATT because these elements are not included in FTmisc-MAT2.  Otherwise, use FTmisc-MAT2 which is a more recent evaluation.

 

References: 4006, 4007, 4008, 4010, 6019

 

 

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

SOLID FeS2-NiS-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 

           

FTmisc-MeS2 is part of a recent (2010) optimization of the S-Cu-Fe-Ni-Cr-Co-Mn system and is consistent with FTmisc-M3S2, -MAT2, -Pyrr, -Poly, -Pent, -Fe9S, -FCrS, -CuMS, -Cove, -Dgnt, -Vill, -Mill, -SpiS, MS-c, -fccS, -bccS,  as well as with the stoichiometric sulfides Cr2S3, NiS, NiS2, Ni3S2, Ni3S4, Ni7S6, Ni9S8, FeS, FeS2 Fe9S10, Fe7S8, Fe10S11, Fe11S12, FeCr2S4, CoS2, Co3S4, Co9S8, CuS, Cu2S, CuFeS2, CuFe2S3, Cu3FeS4, Cu3FeS8, Cu4Fe5S8, Cu9Fe8S16,Cu9Fe9S16, Cu11Fe2S13, MnS, MnS2 and solid S found in the FTmisc compound database. This optimization is particularly useful for calculating metal/liquid sulfide/solid sulfide/gas equilibria, for example during hot corrosion.  The Cu-Fe-Ni-S quaternary system has been very accurately modeled over the entire composition range.  The Cr-S and Co-S binary systems 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.

 

References: 4012, 4013, 4015,4018, 4019

 

 

[FTmisc-Mill] – Millerite

NiS-CuS solid solution

 

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

 

FTmisc-Mill is part of a recent (2010) optimization of the S-Cu-Fe-Ni-Cr-Co-Mn system and is consistent with FTmisc-M3S2, -MAT2, -Poly, -Pyrr, -MeS2, -Fe9S, -FCrS, -bccS, -CuMS, -Cove, -Dgnt, -Vill, -SpiS, MS-c, -Pent, -fccS,  as well as with the stoichiometric sulfides Cr2S3, NiS, NiS2, Ni3S2, Ni3S4, Ni7S6, Ni9S8, FeS, FeS2 Fe9S10, Fe7S8, Fe10S11, Fe11S12, FeCr2S4, CoS2, Co3S4, Co9S8, CuS, Cu2S, CuFeS2, CuFe2S3, Cu3FeS4, Cu3FeS8, Cu4Fe5S8, Cu9Fe8S16,Cu9Fe9S16, Cu11Fe2S13, MnS, MnS2 and solid S found in the FTmisc compound database. This optimization is particularly useful for calculating metal/liquid sulfide/solid sulfide/gas equilibria, for example during hot corrosion.  The Cu-Fe-Ni-S quaternary system has been very accurately modeled over the entire composition range.  The Cr-S and Co-S binary systems 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.

 

References: 4012, 4013, 4015, 4018, 4019

 

 

[FTmisc-PbLQ] Pb-liq

LIQUID Pb ALLOY

 

Liquid Pb with Ag, As, Au, Bi, Cu, Fe, Na, O, S, Sb, Sn, Zn in dilute solution

Composition limited to > 80 mol % Pb.  Temperature range 300 to 1200oC.

 

Consistent FToxid-SLAG and with FTmisc-CuLQ when FTmisc-CuLQ is used as a speiss (i.e. As-rich) phase.

Consistent with FTmisc-MATT as long as the matte contains enough Cu2S that the matte and liquid metal phases are not completely miscible.

FTmisc-CuLQ may be used as an alternative to FTmisc-PbLQ for most calculations.

Do not select simultaneously with any other liquid metal solution (except with FTmisc-CuLQ when used as a speiss.)

 

FTmisc-PbLQ is NOT identical to the liquid phase in the FSlead database.

 

References: 4016

 

 

[FTmisc-PbSb] Pb-solid

SOLID Pb-Sb SOLUTION

 

Solid Pb-Sb fcc solution.  Valid only when dilute in Sb

 

Do not select simultaneously with a metallic solution from any database other than FTmisc.

 

 

[FTmisc-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 FTmisc compound database is not the end member component of the pentlandite solution, but is a separate stoichiometric phase with a different crystal structure.

 

FTmisc-Pent is part of a recent (2010) optimization of the S-Cu-Fe-Ni-Cr-Co-Mn system and is consistent with FTmisc-M3S2, -MAT2, -Pyrr, -Poly, -MeS2, -Fe9S, -FCrS, -CuMS, -Cove, -Dgnt, -Vill, -Mill, -SpiS, MS-c, -fccS, -bccS,  as well as with the stoichiometric sulfides Cr2S3, NiS, NiS2, Ni3S2, Ni3S4, Ni7S6, Ni9S8, FeS, FeS2 Fe9S10, Fe7S8, Fe10S11, Fe11S12, FeCr2S4, CoS2, Co3S4, Co9S8, CuS, Cu2S, CuFeS2, CuFe2S3, Cu3FeS4, Cu3FeS8, Cu4Fe5S8, Cu9Fe8S16,Cu9Fe9S16, Cu11Fe2S13, MnS, MnS2 and solid S found in the FTmisc compound database. This optimization is particularly useful for calculating metal/liquid sulfide/solid sulfide/gas equilibria, for example during hot corrosion.  The Cu-Fe-Ni-S quaternary system has been very accurately modeled over the entire composition range.  The Cr-S and Co-S binary systems 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.

 

References: 4012, 4013, 4015, 4018, 4019

 

 

[FTmisc-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.

 

FTmisc-Poly is part of a recent (2010) optimization of the S-Cu-Fe-Ni-Cr-Co-Mn system and is consistent with FTmisc-M3S2, -MAT2, -Pyrr, -MeS2, -Fe9S, -FCrS, -bccS, -CuMS, -Cove, -Dgnt, -Vill, -SpiS, MS-c, -Pent, -fccS,  as well as with the stoichiometric sulfides Cr2S3, NiS, NiS2, Ni3S2, Ni3S4, Ni7S6, Ni9S8, FeS, FeS2 Fe9S10, Fe7S8, Fe10S11, Fe11S12, FeCr2S4, CoS2, Co3S4, Co9S8, CuS, Cu2S, CuFeS2, CuFe2S3, Cu3FeS4, Cu3FeS8, Cu4Fe5S8, Cu9Fe8S16,Cu9Fe9S16, Cu11Fe2S13, MnS, MnS2 and solid S found in the FTmisc compound database. This optimization is particularly useful for calculating metal/liquid sulfide/solid sulfide/gas equilibria, for example during hot corrosion.  The Cu-Fe-Ni-S quaternary system has been very accurately modeled over the entire composition range.  The Cr-S and Co-S binary systems 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.

 

References: 4012, 4013, 4015, 4018, 4019

 

 

[FTmisc-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 FTmisc 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.

 

FTmisc-PyrrA is the part of 2005-2008 optimization of the S-Fe-Ni-Cr-Co system and is consistent with FTmisc-MAT2A, -M3S2, -MeS2, -Pent, -Dgnt, -Vill, -SpiS, -fccS, -bccS, as well as with the stoichiometric sulfides Cr2S3, NiS, NiS2, Ni3S2, Ni3S4, Ni7S6, Ni9S8, FeS, FeS2 Fe9S10, Fe7S8, Fe10S11, Fe11S12, FeCr2S4, CoS2, Co3S4, Co9S8  and solid S found in the FTmisc compound database. This optimization is particularly useful for calculating metal/liquid sulfide/solid sulfide/gas equilibria, for example during hot corrosion.  The Fe-Ni-S ternary system has been very accurately modeled over the entire composition range.  The Cr-S and Co-S binary systems and the Fe-Cr-S ternary system have been well modeled over their entire composition ranges.  Other ternary systems have been approximated using the models.

 

References: 4012, 4013, 4015, 4018

 

 

[FTmisc-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 FTmisc 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.

 

FTmisc-PyrrB is part of a recent (2009) optimization of the S-Cu-Fe-Ni system and is consistent with FTmisc-MAT2B, -M3S2, -MeS2, -Pent, -CuMS, -Cove, -Dgnt, -Vill, -Mill, -SpiS, -fccS, -bccS, as well as with the stoichiometric sulfides NiS, NiS2, Ni3S2, Ni3S4, Ni7S6, Ni9S8, FeS, FeS2 Fe9S10, Fe7S8, Fe10S11, Fe11S12, CuS, Cu2S, CuFeS2, CuFe2S3, Cu3FeS4, Cu3FeS8, Cu4Fe5S8, Cu9Fe8S16,Cu9Fe9S16, Cu11Fe2S13  and solid S found in the FTmisc compound database. This optimization is particularly useful for calculating metal/liquid sulfide/solid sulfide equilibria, for example for inclusion formation in steelmaking.  The Cu-Fe-Ni-S quaternary system has been very accurately modeled over the entire composition range. 

 

References: 4012, 4013, 4015, 4018

 

 

[FTmisc-PyrrC] Pyrrhotite

SOLID PYRRHOTITE SULFIDE SOLUTION

 

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

 

Note that solid FeS (troilite) in the FTmisc 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.

 

FTmisc-PyrrC is part of a recent (2010) optimization of the S-Fe-Mn system and is consistent with FTmisc-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 FTmisc compound database. This optimization is particularly useful for calculating metal/liquid sulfide/solid sulfide/gas equilibria, for example during hot corrosion. Fe-Mn-S ternary systems have been well modeled over their entire composition ranges.

 

References: 4012, 4013, 4015,4018, 4019

 

 

[FTmisc-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 FTmisc 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.

 

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

 

 

[FTmisc-SbLQ] Sb-liq

LIQUID ALLOY

 

Sb-Pb; dilute As-O

Valid only when rich in Sb if As or O are present.

 

Not optimized to be consistent with solid metallic solutions except FTmisc-SbPb and Ftmisc-PbSb.

Do not select simultaneously with any other liquid metallic solution or with solutions from databases other than FTmisc.

 

 

[FTmisc-SbPb] Sb-solid

SOLID Sb-Pb SOLUTION

 

Solid Sb-Pb rhombohedral solution.  Valid only when dilute in Pb

 

Do not select simultaneously with a metallic solution from any database other than FTmisc.

 

 

[FTmisc-SeLQ] Se-liq

LIQUID ALLOY

 

Se-As-Se2Cl2-AsCl3-Te; dilute O-Li-Na-K

Valid only when rich in Se if O, Li, Na or K are present.

 

Not optimized to be consistent with solid metallic solutions except FTmisc-SeTe.

Do not select simultaneously with any other liquid metallic solution or with solutions from databases other than FTmisc.

 

References: 4009, 6038

 

 

[FTmisc-SeTe] Solid_Se-Te

SOLID Se-Te SOLUTION

 

Solid Se-Te solution

 

Do not select simultaneously with a metallic solution from any database other than FTmisc. Designed to be consistent with FTmisc-SeLQ and FTmisc-TeLQ.

 

 

 [FTmisc-SnLQ] Sn-liq

LIQUID Sn ALLOY

 

Liquid Sn with Al-Ca-Ce-Co-Cr-Cu-Fe-H-Mg-Mo-Na-Ni-O-P-S-Se-Si-Ti  in dilute solution

 

Do not select simultaneously with any other liquid metal solution.

 

References: 4004

 

 

[FTmisc-SPHA] Sphalerite

SOLID SPHALERITE SOLUTION

 

ZnS-FeS (dilute in FeS) solid solution

Low temperature modification

 

Optimized principally to calculate equilibria with FTmisc-MATT.

Do not use to calculate equilibria with FTmisc-MAT2.

 

References: 4010

 

 

[FTmisc-TeCZ] Telluride

SOLID TELLURIDE SOLUTION

 

Solid non-stoichiometric solution (Cd,Zn)Te(1+-x)

 

Primarily intended for use with FTmisc-HCZT and  FTmisc-CdZn for calculating phase equilibria in the Hg-Cd-Zn-Te system.

 

The very small non-stoichiometry is taken into account in FTmisc-TeCZ, but Hg is not a component of FTmisc-TeCZ and so the calculated Hg content will always be zero if you use FTmisc-TeCZ. 

FTmisc-TeHg includes HgTe as a component, but assumes stoichiometric tellurides, that is: (Hg,Cd,Zn)1Te1.

 

Select either FTmisc-TeHg or FTmisc-TeCZ, but never select both simultaneously.

 

 

[FTmisc-TeHg] Telluride

SOLID TELLURIDE SOLUTION

 

Solid solution HgTe-CdTe-ZnTe

 

Primarily intended for use with FTmisc-HCZT and  FTmisc-CdZn for calculating phase equilibria in the Hg-Cd-Zn-Te system.

 

FTmisc-TeHg assumes stoichiometric tellurides, that is: (Hg,Cd,Zn)1Te1.

The very small non-stoichiometry is taken into account in FTmisc-TeCZ, but Hg is not a component of FTmisc-TeCZ and so the calculated Hg content will always be zero if you use FTmisc-TeCZ. 

Select either FTmisc-TeHg or FTmisc-TeCZ, but never select both simultaneously.

 

[FTmisc-TeLQ] Te-liq

LIQUID ALLOY

 

Te-Se; dilute Pb-Na-O

Valid only when rich in Te if Pb, Na or O are present.

 

Not optimized to be consistent with solid metallic solutions except FTmisc-SeTe.

Do not select simultaneously with any other liquid metallic solution or with solutions from databases other than FTmisc.

 

 

[FTmisc-Vill] – Villamaninite

FeS2-NiS2-CuS2 solid solution

 

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

 

FTmisc-Vill is part of a recent (2010) optimization of the S-Cu-Fe-Ni-Cr-Co-Mn system and is consistent with FTmisc-M3S2, -MAT2, -Poly, -Pyrr, -MeS2, -Fe9S, -FCrS, -bccS, -CuMS, -Cove, -Dgnt, -Mill, -SpiS, MS-c, -Pent, -fccS,  as well as with the stoichiometric sulfides Cr2S3, NiS, NiS2, Ni3S2, Ni3S4, Ni7S6, Ni9S8, FeS, FeS2 Fe9S10, Fe7S8, Fe10S11, Fe11S12, FeCr2S4, CoS2, Co3S4, Co9S8, CuS, Cu2S, CuFeS2, CuFe2S3, Cu3FeS4, Cu3FeS8, Cu4Fe5S8, Cu9Fe8S16,Cu9Fe9S16, Cu11Fe2S13, MnS, MnS2 and solid S found in the FTmisc compound database. This optimization is particularly useful for calculating metal/liquid sulfide/solid sulfide/gas equilibria, for example during hot corrosion.  The Cu-Fe-Ni-S quaternary system has been very accurately modeled over the entire composition range.  The Cr-S and Co-S binary systems 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.

 

References: 4012, 4013, 4015, 4018, 4019

 

 

[FTmisc-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 FTmisc-MATT.

Do not use to calculate equilibria with FTmisc-MAT2.

 

References: 4010

 

 

[FTmisc-ZnLQ] Zn-liq

LIQUID ALLOY

 

Zn-Cd-Na; dilute O

Valid only when rich in Zn, particularly when oxygen is present.

 

Not optimized to be consistent with solid metallic solutions except FTmisc-CdZn.

Do not select simultaneously with any other liquid metallic solution or with solutions from databases other than FTmisc.

 

 

[FTmisc-PITZ] Pitzer

NON-IDEAL AQUEOUS SOLUTION WITH PITZER PARAMETERS

 

Non-ideal aqueous solution with Pitzer parameters for 96 solutes.

 

Do not select FTmisc-PITZ simultaneously with any solution from the FThelg database, with any aqueous species taken from the compound databases, or with any data from the OLI databases.

 

If you have access to the OLI databases, they should be used in preference to FTmisc-PITZ.

 

FTmisc-PITZ contains Pitzer parameters taken from a survey of the literature until 1996 for 49 cations and 36 anions in H2O. In addition, the solution contains 2 anions and 8 neutral species for which no Pitzer parameters were found, but which are important for calculations of homogeneous equilibria. Go values for ions were taken from the FACT compound database.  FTmisc-PITZ contains 650 single-salt parameters and 64 interaction parameters.  For ion combinations for which interaction parameters are lacking, calculations will be less accurate. A complete list of all interaction parameters in FTmisc-PITZ is given in the following tables.

 

For the components Na, K, Mg, Ca, H, SO4, OH, HCO3, SO4, Pitzer parameters (single-salt parameters and interaction parameters) were taken from Harvie et al

References:

who did extensive optimizations to test their validity versus several solubility phase diagrams. (See these references also for a summary of the Pitzer equations). Data for some pure solid salts and ions in the FACT compound  database were adjusted slightly to be consistent with this database. If only these components are present, then calculations will be more accurate. Pitzer parameters for other components were taken mainly from isopiestic measurements.  That is, they have not been optimized to be necessarily consistent with solubility limits of solid salts.

 

All parameters in FTmisc-PITZ are strictly valid only at 25oC. The parameters have effectively zero temperature dependence. Calculations at temperatures

other than 25oC are done at the user's risk. 

The FThelg database, on the other hand, incorporates the Helgeson equation of state for temperatures up to 350oC for 1440 solutes and employs the extended Debye-Hückel (Davies) equation of state to estimate non-ideal interactions.  It is also consistent with the FThelg pure solid compound database.  When performing calculations involving an aqueous phase, you should first perform the calculations using the FThelg database, selecting all aqueous species.  IF you then find that ALL major species calculated at equilibrium are also in FTmisc-PITZ, and IF the temperature is close to 25oC, you can repeat the calculation with FTmisc-PITZ for possibly more precise results at high solute concentrations.

 

Aqueous systems whose Phase Diagrams were

Tested by Harvie et al.

References:

 

K,Na//Cl                                  Na//Cl,SO4                                          Na,Mg//Cl;SO

Na,Mg//Cl                               Mg//Cl,S                                   K,Na//CO3,HCO3

Na,Ca//Cl                                K//Cl,SO4                                Na,Ca//OH,Cl

K,Mg//Cl                                 Ca//Cl,SO4                               K,Ca//OH,Cl

K,Ca//Cl                                  Na//Cl,OH

Mg,Ca//Cl                               K//Cl,OH

H,Ca//Cl                                  Na//OH,SO4

H,Na//Cl                                  K//OH,SO4

H,K//Cl                                   Na//Cl,HCO3

H,Mg//Cl                                 Na//HCO3,CO3

K,Na//SO4                              Na//SO4,CO3

Na,Mg//SO4                            Na//HCO3,SO4

Na,Ca//SO4                             Na//CO3,Cl

K,Mg//SO4                             Na//CO3,OH

K,Ca//SO4                              K//SO4,CO3

Mg,Ca//SO4                            K//HCO3,CO3

H,K//SO4                               Ca//OH,Cl

H,Ca//SO4                              K//Cl,HCO3

H,Na//SO4                              K//OH,CO3

H,Mg//SO4                             K//CO3,Cl

Na,K//HCO3                           Mg//Cl,OH

Na,K//CO3                              Mg//CO3,SO4

K,Ca//OH                                Mg//CO3,Cl

Ca,Na//OH                              Ca//OH,SO4

CaSO4 in HCl                         Na//CO3,OH,Cl

CaSO4 in NaCl                       Na//CO3,OH,SO

Ca(OH)2 in KCl                     Na//CO3,Cl,HC4

Ca(OH)2 in NaCl                    Na//CO3,SO4,HO3

Na//CO3,Cl,SO4,CO3

 

Pitzer Interaction Parameters Given by Harvie et al

References:

 

Cation-cation            Anion-Anion

Na,K                           Cl,SO4           

Na,K,Cl                       Cl,SO4,Na                                         

Na,K,SO4                   Cl,SO4,Mg

Na,K,HCO3                Cl,SO4,Ca

Na,K,CO3                   Cl,OH

Na,Mg                         Cl,OH,Na

Na,Mg,Cl                    Cl,OH,K

Na,Mg,SO4                 Cl,OH,Ca

Na,Ca                          Cl,HCO3

Na,Ca,Cl                     Cl,HCO3,Na

Na,Ca,SO4                  Cl,HCO3,Mg

Na,H                           Cl,CO3

Na,H,Cl                       Cl,CO3,Na

Na,H,SO4                   Cl,CO3,K

K,Mg                           Cl,HSO4

K,Mg,Cl                      Cl,HSO4,Na

K,Mg,SO4                  OH,SO4

K,Ca                            OH,SO4,Na

K,Ca,Cl                       OH,SO4,K

K,H                             HCO3,SO4

K,H,Cl                                    HCO3,SO4Na

K,H,SO4                     SO4,CO3

Mg,Ca                         SO4,CO3,Na

Mg,Ca,Cl                    SO4,CO3,K

Mg,Ca,SO4                 SO4,HSO4

Mg,H                           SO4,HSO4,Na

Mg,H,Cl                      SO4,HSO4,K

Mg,H,HSO4               SO4,HSO4,Mg

Ca,H                            OH,CO3

Ca,H,Cl                       OH,CO3,Na

                                    OH,CO3,K

HCO3,CO3

HCO3,CO3,Na

HCO3,CO3,K

 

Other Pitzer Interaction Parameters

 

Cation-cation             Three ions

 

H,Li                             H,Li,ClO4                  

H,Na                           H,Na,Cl                      

H,K                             H,Na,Br                     

H,Cs                            H,Na,ClO4                 

H,NH4                                    H,K,Cl                                   

Li,Na                           H,K,Br                                   

Li,K                             H,Cs,Cl                      

Li,Cs                           Li,Na,Cl                     

Na,K                           Li,Na,NO3                 

Na,Cs                          Li,Na,ClO4     

H,Sr                             Li,Na,acetate  

H,Ba                            Li,K,Cl

Li,Ba                           Li,Cs,Cl

Na,Ba                          Na,K,Cl

Na,Co                          Na,K,NO3

K,Ca                            Na,K,SO4

K,Ba                            Na,Cs,Cl

Cs,Ba                          K,Cs,Cl

Mg,Ca                         H,Sr,Cl

Ca,Co                          H,Ba,Cl

Anion-anion                Li,Ba,Cl         

Cl,OH                                     Cl,OH,K

Br,OH                                     Br,OH,Na

Cl,SO4                                    Br,OH,K

Cl,NO3                       Cl, SO4,K

Cl,H2PO4                   Cl,SO4,Na

Cl,SO4,Mg

Cl,SO4,Cu

Cl,NO3,Li

Cl,NO3,Na

Cl,NO3,K

                                    Cl,NO3,Ca

                                    Na,Mn,Cl

                                    Na,Co,Cl

                                    Na, Cu, Cl

                                    K,Ca,Cl

                                    Ca,Co,Cl

                                    Cl,OH,Na

 

 References: 4001, 4002