SOLUTIONS (OXIDES) IN FToxid

[FToxid-SLAGA] ASlag-liq

OXIDE  liquid/glass

Oxides of:  Al,As,B,Ca,Co,Cr(II),Cr(III),Cu(I),Fe(II),Fe(III),Ge,K,Mg,Mn,Na,Ni,Pb,Si,Sn,Ti(III),Ti

(IV),Zn,Zr + F,Cl,S  in dilute solution (<10%)

Major update of FACT-SLAG

Possible miscibility gap at high SiO₂ contents.  Use I option.

Not all binary and ternary sub-systems have been evaluated and optimized, nor are all composition ranges covered.  Sub-systems which have not been evaluated and optimized have been assumed ideal or have been approximated. The sub-systems and composition ranges which have been evaluated and optimized are described in the following.  The most accurate calculations will be obtained in or near these sub-systems and composition ranges.

(1) Major oxide components: Oxides of  Al,Ca,Fe(II),Fe(III),Mg,Si

All major oxide components have been fully optimized and evaluated together at all compositions.  All available data for binary, ternary and quaternary sub-systems have been fully optimized.

References 2004, 2020, 2025, 2028, 2030, 2031, 2032, 6009, 6020

(2) Oxides of  Mn,Co,Ni,Pb,Zn  with the major oxide components Al, Ca, Fe(II), Fe(III),

      Mg, Si

Most binary and many ternary sub-systems among these components and between these components and the major oxide components have been evaluated and optimized.  Particularly in the composition region of fayalite slags, extensive optimizations have been carried out.

References 2002, 2008, 2012, 2015, 2018, 2019, 2023, 2024, 2025, 2026, 2027,

6013, 6016, 6021, 6026, 6028, 6033

(3) Slags containing CrO and Cr₂O₃

    (i)  In the absence of SiO₂:

          Oxides of: Al,Ca,Co,Cr(II),Cr(III),Fe(II),Fe(III),Mg,Ni,Zn

     This combination of components is of particular interest in hot corrosion.  

     This group of components has been extensively optimized together over most          

      composition regions where data are available.

     (ii) In the presence of SiO₂:

           Oxides of: Al,Ca,Fe(II),Fe(III),Mg,Si + Cr(II),Cr(III)

This group of components has been fully evaluated and optimized at all composition regions for the oxides of (Al,Ca,Fe(II),Fe(III),Mg,Si) in the absence of Cr.  When Cr is present, all available data have been fully optimized for Al₂O₃-CaO-CrO-Cr₂O₃-SiO₂ solutions and roughly optimized for CrO-Cr₂O₃-MgO-SiO₂ solutions.

References 2010, 2011, 2013, 2025, 2029, 6008

(4) Slags containing As₂O₃, Cu₂O, SnO

Data have been optimized with the major oxide components only over limited composition ranges, generally for SiO₂-rich slags and in the composition region of fayalite slags.

References 4007, 4008, 4010, 6019

(5) Slags containing TiO₂ and Ti₂O₃

Oxides of: Al,Ca,Fe(II),Mg,Si + K,Na,Mn,Ti(III),Ti(IV)

This group of components has been evaluated and optimized at all composition regions for the oxides of (Al,Ca,Fe(II),Mg,Si) in the absence of Ti.  In the presence of Ti, available data have been evaluated, but these data are limited.

Note that slags containing Fe₂O₃ simultaneously with Ti have not been evaluated.  That is, calculations should be made with FToxid-SLAGA only under reducing conditions where Fe is present mainly as Fe(II), although reasonable calculations of the Fe(III) content can be obtained as long as the Fe(III) content is low.

References 2005, 2009, 2014

(6) Slags containing ZrO₂

Oxides of: Al,Ca,Fe(II),Fe(III),Mg,Si + Mn,Ti(IV),Zr

This combination of components has been evaluated and optimized at all composition regions for the oxides of (Al,Ca,Fe(II),Fe(III),Mg,Si) in the absence of Zr.  When Zr is present, the data have been fully optimized for all binary oxide solutions except Fe₂O₃-ZrO₂, and for quaternary Al₂O₃-SiO₂-TiO₂-ZrO₂ solutions (including all four ternary sub-systems). Best calculations, therefore, will be obtained in this quaternary system, at compositions in or near all binary systems, and at relatively low concentrations of Fe(III). In general, the precision for the optimizations involving ZrO₂ are relatively low.

(7) Slags containing B₂O₃

Oxides of: Al,Ca,Mg,Si + B,Na

This combination of components has been fully evaluated and optimized at all composition regions for the oxides of (Al,Ca,Mg,Si) in the absence of B.  When B is present, all available data have been optimized for the B₂O₃-MgO binary system, for the Al₂O₃-B₂O₃-CaO-SiO₂ system including all four ternary sub-systems (data within the quaternary system are very limited), and have been roughly optimized for the B₂O₃-Na₂O-SiO₂ and B₂O₃-MgO-SiO₂ systems. In general, the precision of the optimizations involving B₂O₃ are relatively low.

When boron is present, there may be multiple miscibility gaps. (Use J option.)

References 2003, 2006

(8) Slags containing GeO₂

GeO₂ has not been evaluated simultaneously with any slag component except SiO₂.

The GeO₂- SiO₂ system has been evaluated over the entire composition range.  

References 2022

(9) Slags containing Na₂O and K₂O:

When Na₂O or K₂O are present, optimizations are less precise. (Major improvements are under development.) Binary systems Na₂O-X and K₂O-X have been evaluated/optimized for X = Al₂O₃, SiO₂ and TiO₂, and the liquid solution is assumed ideal for X = CaO, MgO and MnO. The following ternary systems have also been evaluated/optimized: oxides of B-Na-Si, Ca-Na-Si, Mg-Na-Si (at low MgO concentrations only), Al-Na-Si (at high Na₂O/Al₂O₃ concentration ratios only) and Al-K-Si (only very approximately).

References 2003, 2005, 2006

(10) Solubility of Sulfide:

The model used, and most of the optimizations, are described in the references below. Sulfur contents as sulfide will be calculated reasonably well for total sulfide contents up to about 12 weight %. Calculations are not accurate for slags/glasses with large Na₂O or K₂O contents. For slags containing large amounts of CrO, better calculations of sulfide solubility will be obtained with FToxid-SLAG?.  Output of EQUILIB will give sulfide grouped as the “components” CaS, FeS, MgS, etc. This is only a formalism. The model actually treats sulfur as dissolved sulfide ion which is not associated with any particular cations.

References 2007, 2017

(11) Solubilities of chloride and fluoride:

The model used and optimizations are described in the references below. Total chloride and fluoride contents can be calculated up to a few weight percent. Calculations will be best in acidic slags. For slags containing large amounts of CrO, Cr₂O₃ or Fe₂O₃, better calculations of chloride and fluoride solubilities will be obtained with FToxid-SLAG?.  Data were optimized only for NaCl, CaCl₂,  NaF, MgF₂ and CaF₂ solubilities in a 57 wt % SiO₂, 5% B₂O₃, 20% Na₂O, 12% Al₂O₃, 4% CaO slag. Otherwise, calculations are a priori from the model.  Output of EQUILIB will give halides grouped as the “components” NaCl, CaCl₂, NaF, CaF₂, etc. This is only a formalism. The model actually considers dissolved halide ions as not associated with any particular cations.

References 2007, 2017

Complete list of references for FToxid-SLAGA:-

References: 2002, 2003, 2004, 2005, 2006, 2007, 2008, 2009, 2010, 2011, 2012, 2013 References: 2014, 2015, 2017, 2018, 2019, 2020, 2023, 2024, 2025, 2026, 2027, 2028

References: 2030, 2031, 2032, 4007, 4008, 4010, 6008, 6009, 6013, 6016, 6019

References: 6020, 6021, 6026, 6028, 6033

[FToxid-SLAGB] BSlag-liq

Oxide liquid/glass containing sulfate

Oxides of: Al,As,B,Ca,Fe(III),K,Mg,Mn,Na,Ni,Pb,Si,Ti(III),Ti(IV),Zn,Zr

    + SO₄ in dilute solution (< 10 weight %)

Possible miscibility gap at high SiO₂ contents.  Use I option.

SO₄ solubilities can be calculated for slags containing oxide components other than those in the above list by using FToxid-SLAG?. However, this is not recommended.

Among the oxide components, not all binary and ternary sub-systems have been evaluated and optimized, nor are all composition regions covered.  Scroll up to see the description of FToxid-SLAGA for more details.

It is recommended that you calculate the solubilities of non-oxide components (S, F, Cl, SO₄, PO₄, CO₃,................. etc.) in a series of separate calculations using FToxid-SLAGA, SLAGB, SLAGC, etc. rather than trying to calculate all the solubilities simultaneously with FToxid-SLAG?

The model used and the optimizations are described in the references below. Total sulfate contents up to several weight percent can be calculated in slags when:

 [X(Na₂O) + X(K₂O)] < 0.5 and X_Al2O3 < 0.5.

Data were optimized only for:

Na₂O-SiO₂                              0.2 < X(Na₂O) < 0.5                            1100-1300^oC

CaO-SiO₂-Al₂O₃                     various compositions                             1500-1650^oC

SiO₂-CaO-Na₂O                     X(Na₂O) < 0.16, X(CaO) < 0.2           1100-1200^oC

Na₂SO₄ solubility in Na₂O-SiO₂

K₂SO₄ solubility in acid slags

For other components, calculations are a priori from the model. Output of Equilib gives sulfates grouped as “components” Na₂SO₄, CaSO₄, etc. This is only a formalism. The model treats dissolved sulfate ion as not associated with any particular cation.

References: 2007, 2017

 [FToxid-SLAGC] CSlag-liq

Oxide liquid/glass containing phosphate

Oxides of: Al,As,B,Ca,Fe(II),Mg,Na,Si,Ti(III),Ti(IV),Zr

    + PO₄ in dilute solution (< 10 weight %)

Possible miscibility gap at high SiO₂ contents.  Use I option.

PO₄ solubilities can be calculated for slags containing oxide components other than those in the list above by using FToxid-SLAG?. However, this is not recommended.

Among the oxide components, not all binary and ternary sub-systems have been evaluated and optimized, nor are all composition regions covered.  Scroll up to see the description of FToxid-SLAGA for more details.

It is recommended that you calculate the solubilities of non-oxide components (S, F, Cl, SO₄, PO₄, CO₃,......................... etc.) in a series of separate calculations using FToxid-SLAGA, SLAGB, SLAGC, etc. rather than trying to calculate all the solubilities simultaneously with FToxid-SLAG?

The model used and optimizations are described in the references below. Total phosphate content up to several weight percent can be calculated in slags when:

[X(Na₂O) + X(K₂O)] < 0.6 and X(Al₂O₃) < 0.4 and when [X(FeO) + X(FeO_1.5)]< 0.5 but only in the presence of substantial amounts of other basic oxides.

Data were optimized only for:

Na₂O-SiO₂                              0.35 < X(Na₂O) < 0.6                          1200-1350^oC

Na₂O.SiO₂ with up to 40% MgO.SiO₂ or CaO.SiO₂

3Na₂O.2SiO₂ with up to 30% 3MgO.2SiO₂ or 3CaO.SiO₂

Na₃PO₄ and Ca₃PO₄ solubilities in a Na borosilicate slag

Ca₂SiO₄ and CaO saturated slags with up to 50% Fe_xO                        1300-1600^oC

The model is not applicable to CaO-Al₂O₃ slags.  For other components, calculations are a priori from the model. Output of Equilib gives phosphates grouped as “components” Na₃PO₄, Ca₃(PO₄)₂, etc. This is only a formalism. The model treats dissolved phosphate as phosphate ion not associated with any particular cation.

References: 2007, 2017

[FToxid-SLAGD] DSlag-liq

Oxide liquid/glass containing carbonate

Oxides of: Al,As,B,Ca,K,Mg,Na,Si,Ti(III),Ti(IV),Zr

    + CO₃ in solution (< 40 weight %)

Possible miscibility gap at high SiO₂ contents.  Use I option.

CO₃ solubilities can be calculated for slags containing oxide components other than those in the list above by using FToxid-SLAG?. However, this is not recommended.

Among the oxide components, not all binary and ternary sub-systems have been evaluated and optimized, nor are all composition regions covered.  Scroll up to see the description of FToxid-SLAGA for more details.

It is recommended that you calculate the solubilities of non-oxide components (S, F, Cl, SO₄, PO₄, CO₃, etc.) in a series of separate calculations using FToxid-SLAGA, SLAGB, SLAGC,....................... etc. rather than trying to calculate all the solubilities simultaneously with FToxid-SLAG?

The model used and the optimizations are described in the reference below. Total carbonate up to nearly pure carbonate can be calculated in basic slags. Calculations will be best in basic slags.

Data were optimized only for:

Na₂O-SiO₂ and K₂O-SiO₂ at 1200^oC for X(SiO2) / [X(M₂O) + X(SiO₂)] < 0.5 where M = Na or K

CaO-Al₂O₃ at 1500^oC for X(CaO) / [X(CaO) + X(Al₂O₃)] = 0.6 to 0.7

Na₂O-B₂O₃ at 1200^oC for X(SiO₂) / [X(Na₂O) + X(BO_1.5)] < 0.6

at P(CO₂) =1 atm. For other components calculations are a priori from the model. Output of Equilib gives carbonates grouped as “components” Na₂CO₃, K₂CO₃, etc. This is only a formalism. The model treats dissolved carbonate ion as not associated with any particular cation.

References: 2007, 2017

[FToxid-SLAGE] ESlag-liq

Oxide liquid/glass containing water/hydroxide

Oxides of: Al,As,B,Ca,Fe(II),Fe(III),K,Mg,Mn,Na,Si,Ti(III),Ti(IV),Zr

    + OH/H₂O in dilute solution (< 10 weight %)

Possible miscibility gap at high SiO₂ contents.  Use I option.

Water/OH solubilities can be calculated for slags containing oxide components other than those in the list above by using FToxid-SLAG?. However, this is not recommended.

Among the oxide components, not all binary and ternary sub-systems have been evaluated and optimized, nor are all composition regions covered.  Scroll up to see the description of FToxid-SLAGA for more details.

It is recommended that you calculate the solubilities of non-oxide components (S, F, Cl, SO₄, PO₄, CO₃, water/OH,................ etc.) in a series of separate calculations using FToxid-SLAGA, SLAGB, SLAGC, etc. rather than trying to calculate all the solubilities simultaneously with FToxid-SLAG?.

For basic slags, a model of OH solubility similar to that described in the references below is used. For acid slags, H₂O is treated as a quasichemical component bonded to the silicate network. Total water content in dilute solution can be calculated for slags where:

[X(CaO) + X(Na₂O) + X(MgO)] < 0.7 and X(Na₂O) < 0.5

Data were optimized only for:

Na₂O-SiO₂                              0.1 < X(Na₂O) < 0.5                            1300^oC

CaO-Al₂O₃                              0.5 < X(CaO) < 0.75                           1600-1700^oC

CaO-SiO2                               0.3 < X(CaO) < 0.6                             1600^oC

FeO-SiO₂                                0.5 < X(FeO) < 1.0                              1600^oC

CaO-MgO-SiO₂                      0.3 < X(SiO₂) < 0.6     

CaO-Al₂O₃-SiO₂

3CaO.SiO₂ with Al₂O₃, TiO₂ and B₂O₃ additions

Al₂O₃-CaO-MgO

SiO₂-CaO-FeO

For other components calculations are a priori from the model. Output of Equilib gives some dissolved water as the hydroxide “components” NaOH, Ca(OH)₂, etc. This is only a formalism. Hydroxide ion is treated as not associated with any particular cation. On output, some water is shown as the component H₂O. This is the part of the total dissolved water which is modeled as bonded to the network.

References: 2007, 2017

[FToxid-SLAGF] FSlag-liq

Oxide liquid/glass containing iodide

Oxides of: Oxides of: Al,As,B,Ca,Fe(II),K,Mg,Mn,Na,Si,Ti(III),Ti(IV),Zr

    + I in dilute solution (< 10 weight %)

Possible miscibility gap at high SiO₂ contents.  Use I option.

Iodide solubilities can be calculated for slags containing oxide components other than those in the list above by using FToxid-SLAG?. However, this is not recommended.

Among the oxide components, not all binary and ternary sub-systems have been evaluated and optimized, nor are all composition regions covered.  Scroll up to see the description of FToxid-SLAGA for more details.

It is recommended that you calculate the solubilities of non-oxide components (S, F, Cl, I, SO₄, PO₄, CO₃, etc.) in a series of separate calculations using FToxid-SLAGA, SLAGB, SLAGC,...... etc. rather than trying to calculate all the solubilities simultaneously with FToxid-SLAG?.

The model used and optimizations are described in the reference below. Total iodide contents can be calculated up to a few weight percent. Calculations will be best in acidic slags. Data were optimized only for NaI solubilities in a 57 wt % SiO₂, 5% B₂O₃, 20% Na₂O, 12% Al₂O₃, 4% CaO slag. Otherwise, calculations are a priori from the model.  Output of EQUILIB will give halides grouped as the “components” NaI, CaI₂, etc. This is only a formalism. The model actually considers dissolved iodide ions as not associated with any particular cations.

References: 2007, 2017

 [FToxid-SLAG?] ?SLAG-liq

Oxide liquid/glass

Major update of FACT-SLAG

Because of the complexity of the models involved, the use of FToxid-SLAG? is not encouraged. Unless you carefully follow the instructions about removing certain components from the component list, completely erroneous calculations can result.

Instead, use FToxid-SLAGA which contains all the oxide components as well as F, Cl and S in dilute solution.  That is, FToxid-SLAGA is equivalent to FToxid-SLAG? in all respects except for the calculation of the solubilities of SO₄, PO₄, CO₃, H₂O/OH, and I.  To calculate these solubilities, it is recommended that you use FToxid-SLAGB, SLAGC, SLAGD, .....etc. in a series of separate calculations, rather than trying  to calculate them all simultaneously with FToxid-SLAG?. The use of FToxid-SLAG? may however give somewhat better estimations of sulfide solubility in the presence of Cr(II) and of F and Cl solubilities in the presence of Cr(II), Cr(III) and Fe(III).

[FToxid-SPIN] Spinel

OXIDE Spinel

Major update replacing FACT-SpMg, FACT-FeSp and FACT-FZSP.

AB₂O₄-type spinel solution containing Al-Co-Cr-Fe-Mg-Ni-Zn-O

(2+ and 3+ oxidation states only)

Mineralogical names: Magnetite (Fe₃O₄), Hercynite (FeAl₂O₄), Gahnite (ZnAl₂O₄), Magnesioferrite (MgFe₂O₄), Franklinite (ZnFe₂O₄), Trevorite (NiFe₂O₄), Magnesiochromite (MgCr₂O₄), Chromite (FeCr₂O₄), Pleonaste (MgAl₂O₄ – FeAl₂O₄).

Distribution of cations over tetrahedral and octahedral sites, as well as vacancies on the octahedral sites (oxygen non-stoichiometry), are taken into account as follows:

(Al,Co(II),Co(III),Cr(II),Cr(III),Fe(II),Fe(III),Mg,Ni(II),Zn)[Al,Co(II),Co(III),Cr(III),

Fe(II),Fe(III),Mg,Ni,Zn,Vacancy]₂O₄

Evaluated and optimized over all compositions.

Mn is not a component of FToxid-SPIN and so the calculated content of Mn will always be zero if you use FToxid-SPIN.  For spinels containing appreciable amounts of Mn, use FToxid-AlSp.

Never select both FToxid-SPIN and FToxid-AlSp simultaneously. 

Possible miscibility gap between Al-rich and Fe(III)-rich spinels. (Use I option).

References: 2010, 2019, 2020, 2024, 2025, 2028, 2029, 2030, 6008, 6009, 6013

References: 6016, 6020, 6021, 6029, 6031, 6033

[FToxid-MeO_A] AMonoxide

OXIDE monoxide (rocksalt structure) solution

Approved sub-system of FToxid-MeO_

Update replacing FACT-WUST

MnO-free

Fe(II)O,CaO,MgO,NiO,CoO at all compositions + (Al,Fe(III),Cr,Zn in dilute amounts)

Mineralogical names: Wustite (Fe_xO), Lime (CaO), Periclase (MgO), Magnesiowustite (MgO-Fe_xO).

End-members in pure compound database FToxidBase.cdb: CaO, MgO, NiO, and CoO solids.

Evaluated and optimized at all compositions.

Can be used for wustite (Fe_xO) solutions at all oxygen contents.

MnO is not a component of FToxid-MeO_A and so the calculated content of MnO will always be zero if you use FToxid-MeO_A.   If MnO is present use FToxid-MeO_B or FToxid-MeO_?

Cu, Ti and Zr are not components of FToxid-MeO_ and so the calculated contents of Cu, Ti and Zr will always be zero if you use FToxid-MeO_.  If these components are present in appreciable amounts, use FToxid-MONO.

Never select both FToxidMeO_ and FToxid-MONO simultaneously.

If CaO is present there is a possible miscibility gap.  (Use I option.)

References: 2010, 2019, 2020, 2024, 2028, 2029, 2030, 2032, 6009, 6013, 6016, 6020

References: 6021, 6029, 6031

[FToxid-MeO_B] BMonoxide

OXIDE monoxide (rocksalt structure) solution

Approved sub-system of FToxid-MeO_

Update replacing FACT-WUST

MnO-containing

Fe(II)O,CaO,MgO,MnO,NiO,CoO at all compositions + (Al in dilute amounts)

Mineralogical names: Wustite (Fe_xO), Lime (CaO), Periclase (MgO), Magnesiowustite (MgO-Fe_xO).

End-members in pure compound database FToxidBase.cdb: CaO, MgO, NiO, CoO and MnO solids.

Calculations will be less precise when MnO is present in appreciable amounts.

Fe(III), Cr and Zn are not components of FToxid-MeO_B and so the calculated contents of Fe(III), Cr and Zn will always be zero if you use FToxid-MeO_B.  If these components are present in appreciable amounts, use FToxid-MeO_A or FToxid-MeO_?

Note that the oxygen content of wustite (Fe_xO) will not be calculated correctly by FToxid-MeO_B since Fe(III) is not included. Wustite will be approximated as Fe(II)O.

Cu, Ti and Zr are not components of FToxid-MeO_ and so the calculated contents of Cu, Ti and Zr will always be zero if you use FToxid-MeO_.  If these components are present in appreciable amounts, use FToxid-MONO.

Never select both FToxidMeO_ and FToxid-MONO simultaneously.

If CaO is present there is a possible miscibility gap.  (Use I option.)

References: 2002, 2023, 2027, 6026

[FToxid-MeO_?] ?Monoxide

OXIDE monoxide (rocksalt structure) solution

Update replacing FACT-WUST

 Fe(II)O,CaO,MgO,MnO,NiO,CoO at all compositions + (Al,Fe(III),Cr,Zn in dilute amounts)

Mineralogical names: Wustite (Fe_xO), Lime (CaO), Periclase (MgO), Magnesiowustite (MgO-Fe_xO).

End-members in pure compound database FToxidBase.cdb: CaO, MgO, NiO, CoO and MnO solids.

When MnO is present, the solubilities of Fe(III), Cr and Zn have not been evaluated and calculations of their solubilities in the presence of MnO will only be very approximate.

(Scroll up to see descriptions of FToxid-MeO_A and FToxid-MeO_B.)

Can be used for wustite (Fe_xO) solutions at all oxygen contents unless MnO is present in appreciable amounts.

Cu, Ti and Zr are not components of FToxid-MeO_ and so the calculated contents of Cu, Ti and Zr will always be zero if you use FToxid-MeO_.  If these components are present in appreciable amounts, use FToxid-MONO.

Never select both FToxidMeO_ and FToxid-MONO simultaneously.

If CaO is present there is a possible miscibility gap.  (Use I option.)

[FToxid-cPyr] Clinopyroxene

OXIDE solution – clinopyroxene

Major update of FACT-cPyr

MSiO₃ – MAl₂SiO₆ – MFe₂SiO₆ solution (where: M = Fe(II), Ca, Mg)

Mineralogical names: Clino-enstatite (MgSiO₃), Clino-ferrosilite (FeSiO₃), Diopside (CaMgSi₂O₆), Hedenbergite (CaFeSi₂O₆), Esseneite (CaFe³⁺AlSiO₆), Ca-Tschermak (CaAl₂SiO₆); Pigeonite:  (Ca,Fe(II),Mg)[Mg,Fe(II)]Si₂O₆; Augite: (Ca)[Mg,Fe(II),Al]{Al,Si}₂O₆.

End-members in pure compound database FToxidBase.cdb: CaMgSi₂O₆, CaFeSi₂O₆ and CaAl₂SiO₆ solids, FeSiO₃ (S1).

Distribution of cations over the three cation sites is taken into account as follows:

(Ca,Fe(II),Mg)[Mg,Fe(II),Fe(III),Al]{Al,Fe(III),Si}SiO₆

Evaluated and optimized at all compositions.

Zn and Mn are not components of FToxid-cPyr and so the calculated contents of Zn and Mn will always be zero if you use FToxid-cPyr.  If Mn is present in appreciable amounts, use FToxid-MnPy

Never select FACT-cPyr and FToxid-MnPy simultaneously.

Possible miscibility gap when Ca is present. (Use I option.)

References: 2020, 2031, 2032

[FToxid-oPyr] Orthopyroxene

OXIDE solution – orthopyroxene

Major update of FACT-oPyr

MSiO₃ – MAl₂SiO₆ – MFe₂SiO₆ solution (where: M = Fe(II), Ca, Mg)

Mineralogical names: Ortho-enstatite (MgSiO₃), Ortho-ferrosilite (FeSiO₃).

End-members in pure compound database FToxidBase.cdb: MgSiO₃(S2), FeSiO₃ (S3).

Distribution of cations over the three cation sites is taken into account as follows:

(Ca,Fe(II),Mg)[Mg,Fe(II),Fe(III),Al]{Al,Fe(III),Si}SiO₆

Evaluated and optimized at all compositions.

Zn and Mn are not components of FToxid-oPyr and so the calculated contents of Zn and Mn will always be zero if you use FToxid-oPyr.  If Mn is present in appreciable amounts, use FToxid-MnPy

Never select FToxid-oPyr and FToxid-MnPy simultaneously.

Possible miscibility gap when Ca is present. (Use I option.)

References: 2020, 2031, 2032

[FToxid-pPyr] Protopyroxene

OXIDE solution – protopyroxene

Major update of FACT-pPyr

MSiO₃ – MAl₂SiO₆ – MFe₂SiO₆ solution  (where: M = Fe(II), Ca, Mg)

Mineralogical names: Proto-enstatite (MgSiO₃).

End-members in pure compound database FToxidBase.cdb: MgSiO₃(S3).

Distribution of cations over the three cation sites is taken into account as follows:

(Ca,Fe(II),Mg)[Mg,Fe(II),Fe(III),Al]{Al,Fe(III),Si}SiO₆

Evaluated and optimized at all compositions.

Zn and Mn are not components of FToxid-pPyr and so the calculated contents of Zn and Mn will always be zero if you use FToxid-pPyr.  If these components are present in appreciable amounts, use FToxid-MgPy or FToxid-MnPy

Never select more than one of FACT-pPyr, FToxid-MgPy or FToxid-MnPy simultaneously.

Possible miscibility gap when Ca is present. (Use I option.)

References: 2020, 2031, 2032

[FToxid-LcPy] LowClinopyroxene

OXIDE solution – low clinopyroxene

CaMgSi₂O₆ – Mg₂Si₂O₆ solid solution (low clinopyroxene structure)

Mineralogical names: Low-clinoenstatite (MgSiO₃).

End-members in pure compound database FToxidBase.cdb: MgSiO₃(S1).

Distribution of Mg and Ca over the cation sites is taken into account as follows:

(Ca,Mg)[Mg]Si₂O₆

Never select FToxid-LcPy and FToxid-MnPy simultaneously.

The solubilities of Fe and Al in this phase are very small and assumed negligible.

Possible miscibility gap. (Use I option.)

References: 2032

[FToxid-WOLL] Wollastonite

OXIDE solution – wollastonite

Update of FACT-WOLL.

CaSiO₃ with MgSiO₃, FeSiO₃ and MnSiO₃ in solution.

Valid only if rich in CaSiO₃.

End-members in pure compound database FToxidBase.cdb: CaSiO₃(S1).

References: 2027, 2032, 6026

[FToxid-bC2SA] Aa’Ca2SiO4

OXIDE solution  alpha-prime Ca₂SiO₄

Approved optimized sub-system of FToxid-bC2S

Update of FACT-"C2S

Ca₂SiO₄ + (Mg₂SiO₄,Fe₂SiO₄,Mn₂SiO₄,Pb₂SiO₄,Zn₂SiO₄ in solution)

Ca₂SiO₄ must be present.

End-members in pure compound database FToxidBase.cdb: Ca₂SiO₄(S2).

Boron is not component of FToxid-bC2SA and so the calculated content of boron will always be zero if you use FToxid-bC2SA.  If this component is present in appreciable amounts, use FToxid-bC2SB.

References: 2015, 2027, 2032, 6009, 6013, 6016, 6020, 6021, 6026

[FToxid-bC2SB] Ba’Ca2SiO4

OXIDE solution  alpha-prime Ca₂SiO₄

Approved optimized sub-system of FToxid-bC2S

Update of FACT-"C2S

Ca₂SiO₄ – CaB₂O₄ solution, rich in Ca₂SiO₄.

Mg, Mn, Fe, Pb and Zn are not components of FToxid-bC2SB and so the calculated contents of these will always be zero if you use FToxid-bC2SB.  If these components are present in appreciable amounts, use FToxid-bC2SA

[FToxid-bC2S?] ?a’Ca2SiO4

OXIDE solution  alpha-prime Ca₂SiO₄

Update of FACT-"C2S

Ca₂SiO₄ + (CaB₂O₄,Mg₂SiO₄,Fe₂SiO₄,Mn₂SiO₄,Pb₂SiO₄,Zn₂SiO₄ in solution)

Ca₂SiO₄ must be present.

Scroll up to see descriptions of FToxid-bCS2A and FToxid-bC2SB.  Interactions of boron with Mg, Fe, Mn, Pb and Zn in solution have not been evaluated and are assumed ideal.  Therefore, calculations involving the simultaneous presence of B and these other elements are only very approximate.

[FToxid-aC2SA] Aa-Ca2SiO4

OXIDE solution  alpha Ca₂SiO₄

Approved optimized sub-system of FToxid-aC2S

Update of FACT-aC2S

Ca₂SiO₄ + (Mg₂SiO₄,Fe₂SiO₄,Mn₂SiO₄ in solution)

Ca₂SiO₄ must be present.

End-members in pure compound database FToxidBase.cdb: Ca₂SiO₄(S3).

Boron is not component of FToxid-aC2SA and so the calculated content of boron will always be zero if you use FToxid-aC2SA.  If this component is present in appreciable amounts, use FToxid-aC2SB.

References: 2027, 2032, 6026

[FToxid-aC2SB] Ba-Ca2SiO4

OXIDE solution  alpha Ca₂SiO₄

Approved optimized sub-system of FToxid-aC2S

Update of FACT-aC2S

Ca₂SiO₄ – CaB₂O₄ solution, rich in Ca₂SiO₄.

Mg, Mn, and Fe are not components of FToxid-aC2SB and so the calculated contents of these will always be zero if you use FToxid-aC2SB.  If these components are present in appreciable amounts, use FToxid-aC2SA.

[FToxid-aC2S?] ?a-Ca2SiO4

OXIDE solution  alpha Ca₂SiO₄

Update of FACT-aC2S

Ca₂SiO₄ + (CaB₂O₄,Mg₂SiO₄,Fe₂SiO₄,Mn₂SiO₄ in solution)

Ca₂SiO₄ must be present.

Scroll up to see descriptions of FToxid-aCS2A and FToxid-aC2SB.  Interactions of boron with Mg, Fe, and Mn in solution have not been evaluated and are assumed ideal.  Therefore, calculations involving the simultaneous presence of B and these other elements are only very approximate.

[FToxid-Mel_] Melilite

OXIDE solution  melilite

Major update replacing FACT-MELZ and FACT-MELA

Distribution of cations over the three cation sites are taken into account as follows:

(Ca,Pb)₂[Mg,Fe(II),Fe(III),Al,Zn]{Al,Fe(III),Si}₂O₇

Mineralogical names: Akermanite (Ca₂MgSi₂O₇), Iron-akermanite (Ca₂FeSi₂O₇), Gehlenite (Ca₂Al₂SiO₇), Iron-gehlenite (Ca₂Fe₂SiO₇), Hardystonite (Ca₂ZnSi₂O₇).

End-members in pure compound database FToxidBase.cdb: Ca₂MgSi₂O₇, Ca₂Al₂SiO₇, Ca₂ZnSi₂O₇, Pb₂ZnSi₂O₇.

Evaluated and optimized at all compositions where data are available.

Na and K are not components of FToxid-Mel_ and so the calculated contents of Na and K will always be zero if you use FToxid-Mel_.

References: 6009, 6013, 6016, 6020, 6021

[FToxid-Oliv] Olivine

OXIDE solution    olivine

Major update replacing FACT-MONT, FACT-FORS, FACT-CFSM, FACT-Oli1 and FACT-Oli2

Ca₂SiO₄-Mg₂SiO₄-Fe₂SiO₄-Mn₂SiO₄-Co₂SiO₄-Ni₂SiO₄-Zn₂SiO₄ solution

Distribution of cations over the two cation sites is taken into account as follows:

(Ca,Fe,Mg,Mn,Co,Ni,Zn)[ Ca,Fe,Mg,Mn,Co,Ni,Zn]SiO₄

Mineralogical names: Forsterite (Mg₂SiO₄), Fayalite (Fe₂SiO₄), Tephroite (Mn₂SiO₄), Monticellite (CaMgSiO₄), Kirschsteinite (CaFeSiO₄).

End-members in pure compound database FToxidBase.cdb: Mg₂SiO₄(S1), Fe₂SiO₄(S1), Ca₂SiO₄(S1), Co₂SiO₄(S1), Ni₂SiO₄(S1), Mn₂SiO₄(S1).

Evaluated and optimized at all compositions.

Possible miscibility gap when Ca₂SiO₄ is present. (Use I option.)

References: 2018, 2020, 2027, 2031, 2032, 6016, 6026

[FToxid-Cord] Cordierite

OXIDE solution – cordierite

Al₄Fe₂Si₅O₁₈ – Al₄Mg₂Si₅O₁₈ solution

End-members in pure compound database FToxidBase.cdb: Al₄Fe₂Si₅O₁₈ and Al₄Mg₂Si₅O₁₈ solids.

[FToxid-MulF] Mullite

OXIDE solution – mullite with iron in solution

Solid solution of stoichiometric mullite, Al₆Si₂O₁₃, with Fe(III) in dilute solution.

End-members in pure compound database FToxidBase.cdb: Al₆Si₂O₁₃ solid.

Boron is not a component of FToxid-MulF and so the calculated content of boron will always be zero if you use FToxid-MulB.  If boron is present in appreciable amounts, use FToxid-MulB.

In FToxid-MulF, mullite is assumed to be stoichiometric Al₆Si₂O₁₃.  To calculate the non-stoichiometry of mullite, use FToxid-MULL.

Never select more than one of FToxid-MULL, FToxid-MulB or FToxid-MulF simultaneously.

[FToxid-CAFS] Ca2(Al,Fe)8SiO16

OXIDE solution

(CaO)₂(Al₂O₃)₄SiO₂ – (CaO)₂(Fe₂O₃)₄SiO₂ solid solution

X-phase

End-members in pure compound database FToxidBase.cdb: CaAl₁₂O₁₉ solid.

[FToxid-CAF6] Ca(Al, Fe)12O19

OXIDE solution

CaAl₁₂O₁₉ with CaFe₁₂O₁₉ in solution (CaAl₁₂O₁₉-rich)

[FToxid-CAF3] Ca(Al,Fe)6O10

OXIDE solution

CaAl₆O₁₀ – CaFe₆O₁₀ solid solution

T-phase

The pure end-member components are not stable.  This solution only exists as a stable phase when both Al and Fe are present.

[FToxid-CAF2] Ca(Al,Fe)4O7

OXIDE solution

CaAl₄O₇ with CaFe₄O₇ in solution (CaAl₄O₇-rich)

End-members in pure compound database FToxidBase.cdb: CaAl₄O₇ solid.

[FToxid-CAF1] Ca(Al,Fe)2O4

OXIDE solution

CaAl₂O₄ – CaFe₂O₄ solid solution

End-members in pure compound database FToxidBase.cdb: CaAl₂O₄ and CaFe₂O₄ solids.

Possible miscibility gap (use I option).

[FToxid-C2AF] Ca2(Al,Fe)2O5

OXIDE solution

Ca₂Fe₂O₅ with Ca₂Al₂O₅ in solution (Ca₂Fe₂O₅-rich)

End-members in pure compound database FToxidBase.cdb: Ca₂Fe₂O₅ solid.

[FToxid-C3AF] Ca3(Al,Fe)2O6

OXIDE solution

Ca₃Al₂O₆ with Ca₃Fe₂O₆ in solution (Ca₃Al₂O₆-rich)

End-members in pure compound database FToxidBase.cdb: Ca₃Al₂O₆ solid.

[FToxid-CORU] M2O3(Corundum)

OXIDE solution – Corundum structure

Al₂O₃-Cr₂O₃-Fe₂O₃  corundum structure solution

Mineralogical names: Corundum (Al₂O₃), Hematite (Fe₂O₃).

End-members in pure compound database FToxidBase.cdb: Al₂O₃(S4), Fe₂O₃(S1), Cr₂O₃(S1).

Fully evaluated and optimized at all compositions

Possible miscibility gap (Use I option.)

References: 2010, 2025, 6008

[FToxid-GARN] Garnets

OXIDE solution – garnets

Ca₃Cr₂Si₃O₁₂ – Ca₃Al₂Si₃O₁₂ solid solution

Mineralogical names: Grossularite (Ca₃Al₂Si₃O₁₂), Uvarovite (Ca₃Cr₂Si₃O₁₂).

End-members in pure compound database FToxidBase.cdb: Ca₃Cr₂Si₃O₁₂ and Ca₃Al₂Si₃O₁₂ solids.

[FToxid-CaSp] CaSpinel

OXIDE solution – calcium spinel

CaCr₂O₄ – CaFe₂O₄ solid solution

End-members in pure compound database FToxidBase.cdb: CaCr₂O₄ (S1) and CaFe₂O₄ (S1).

References: 2010

[FToxid-ZNIT] Zincite

OXIDE solution - Zincite

Update of FACT-ZNIT

Zincite, ZnO, containing CoO, FeO, Fe₂O₃, MgO, MnO and NiO in dilute amounts.

Valid only if rich in ZnO. Behavior of MnO assumed ideal.

End-members in pure compound database FToxidBase.cdb: ZnO solid.

References: 2019, 6013, 6016, 6021

[FToxid-Will] Willemite

OXIDE solution – willemite

Update replacing FACT-WILL and FACT-WILF

Zn₂SiO₄ + (Fe₂SiO₄, Mg₂SiO₄ in solution)

End-members in pure compound database FToxidBase.cdb: Zn₂SiO₄ solid.

Distribution of cations over the two cation sites is taken into account as follows:

(Zn,Fe(II),Mg)[Zn,Fe(II),Mg]SiO₄

References: 2018, 6016, 6021

[FToxid-MgPy] Mg-Zn_Pyroxene

OXIDE solution  -  Mg-Zn proto-pyroxene (protoenstatite)

Update of FACT-MgPy

MgSiO₃ (protoenstatite) + (ZnSiO₃ in solution)

Mineralogical names: Proto-enstatite (MgSiO₃).

End-members in pure compound database FToxidBase.cdb: MgSiO₃(S3).

Distribution of cations over the two cation sites are taken into account as follows:

(Mg,Zn)[Mg,Zn]Si₂O₆

If Zn is present in appreciable amounts, use FToxid-MgPy.  However, Ca,Fe,Al and Mn are not components of FToxid-MgPy, so the calculated contents of these will always be zero if you use FToxid-MgPy.  For proto-pyroxenes containing appreciable amounts of these elements, use FToxid-pPyr or FToxid-MnPy.

Never select FToxid-MgPy if you have selected FToxid-pPyr or FToxid-MnPy.

[FToxid-PbO_] PbO-ZnO

Solid PbO with ZnO in solution (PbO-rich).

Mineralogical names: Massicot.

End-members in pure compound database FToxidBase.cdb: PbO (S2).

References: 2012

[FToxid-PCSi] Pb3M2Si3O11

OXIDE solution

Pb₃Ca₂Si₃O₁₁ – Pb₅Si₃O₁₁ solid solution

End-members in pure compound database FToxidBase.cdb: Pb₃Ca₂Si₃O₁₁ solid.

References: 2015, 6013

[FToxid-NCSO] (Na2,Ca)Na2CaSi3O9

OXIDE solution

Update of FACT-NCSO

Na₄CaSi₃O₉ – Na₂Ca₂Si₃O₉ solid solution

End-members in pure compound database FToxidBase.cdb: Na₄CaSi₃O₉ and Na₂Ca₂Si₃O₉ solids.

[FToxid-MulB] Mullite

OXIDE solution – mullite with borate in solution

Solid solution of stoichiometric mullite, Al₆Si₂O₁₃, with borate in dilute solution.

End-members in pure compound database FToxidBase.cdb: Al₆Si₂O₁₃ solid.

Fe is not a component of FToxid-MulB and so the calculated content of Fe will always be zero if you use FToxid-MulB.  If Fe is present in appreciable amounts, use FToxid-MulF.

In FToxid-MulB, mullite is assumed to be stoichiometric Al₆Si₂O₁₃.  To calculate the non-stoichiometry of mullite, use FToxid-MULL.

Never select more than one of FToxid-MULL, FToxid-MulB or FToxid-MulF simultaneously.

[FToxid-Qrtz] Quartz

OXIDE solution – quartz

SiO₂-GeO₂ solid solution with quartz structure.

Valid at all compositions.

End-members in pure compound database FToxidBase.cdb: SiO₂(S2) and GeO₂(S2).

References: 2022

[FToxid-TiO2] Rutile

OXIDE solution – rutile

TiO₂(rutile) + (Ti₂O₃ and ZrO₂ in dilute solution)

End-members in pure compound database FToxidBase.cdb: TiO₂ (S1).

References: 2005, 2009, 2014

[FToxid-ILME] Ilmenite

OXIDE solution

Solid solution: FeTiO₃(ilmenite) – Ti₂O₃ – MgTiO₃ – MnTiO₃

End-members in pure compound database FToxidBase.cdb: Ti₂O₃ (S2).

Distribution of cations over the two cation sublattices is taken into account as:

(Fe(II), Mg, Mn, Ti(III))[Ti(IV), Ti(III)]O₃

FeTiO₃-Ti₂O₃ and MgTiO₃-Ti₂O₃ binary solutions evaluated and optimized.  MnTiO₃-Ti₂O₃ binary solution and multicomponent interactions are estimated.

Fe(III) is not a component of FToxid-ILME.  That is, calculated solubilities of Fe[3+] will always be zero.  Use FToxid-ILME only under relatively reducing conditions.

Possible miscibility gap. (Use I option.)

References: 2005, 2009, 2014

[FToxid-PSEU] Pseudobrookite

OXIDE solution

Solid solution: FeTi₂O₅(ferropseudobrookite) – Ti₃O₅ – MgTi₂O₅ – MnTi₂O₅

over entire composition range.

Distribution of cations over the two cation sublattices is taken into account as:

(Fe(II), Mg, Mn, Ti(III))[Ti(IV), Ti(III)] ₂O₅

FeTi₂O₅-Ti₃O₅ and MgTi₂O₅-Ti₃O₅ binary solutions evaluated and optimized.  MnTi₂O₅-Ti₃O₅ binary solution and multicomponent interactions are estimated.

Fe(III) is not a component of FToxid-PSEU.  That is, calculated solubilities of Fe[3+] will always be zero.  Use FToxid-PSEU only under relatively reducing conditions.

Possible miscibility gap. (Use I option.)

References: 2005, 2009, 2014

[FToxid-TiSp] Titania_Spinel

OXIDE solution – titania spinel

Fe₂Ti(IV)O₄-Mg₂Ti(IV)O₄-Mn₂Ti(IV)O₄-MgTi(III)₂O₄ solution + (FeTi(III)₂O₄ and MnTi(III)₂O₄ in dilute solution)

Fe(III) is not a component of FToxid-TiSp.  That is, calculated solubilities of Fe(III) will always be zero.  Use FToxid-TiSp only under relatively reducing conditions.

The Mg₂TiO₄-MgTi₂O₄ binary solution has been optimized. 

The optimization is consistent with the FeO-TiO₂ and MgO-TiO₂ phase diagram sections.

The limited solubility of FeTi₂O₄ in Fe₂TiO₄ has been evaluated, and the limited solubility of MnTi₂O₄ in Mn₂TiO₄ has been estimated. 

All multicomponent interactions among Fe,Mg and Mn are estimated.

Possible miscibility gap. (Use I option.)

References: 2005, 2009, 2014

[FToxid-CaTi] Ca3Ti2O7-Ca3Ti2O6

OXIDE solution

Ca₃Ti₂O₇ – Ca₃Ti₂O₆ solution

[FToxid-PERO] Perovskite

OXIDE solution – perovskite

Ca₂Ti₂O₆ – Ca₂Ti₂O₅ solution

[FToxid-MONOA] AMonoxide

OXIDE solution  -  monoxide (rocksalt structure)

Approved optimized sub-system of FToxid-MONO

Update of FACT-MONO

Cu-free

(Fe(II)O,CaO,MgO,NiO,MnO) at all compositions + (Al,Ti,Zn,Zr in dilute amounts)

In general, if Ti, Cu and Zr are not present in appreciable amounts, it is better to use FToxid-MeO_ instead.

Never select both FToxidMeO_ and FToxid-MONO simultaneously.

Mineralogical names: Wustite (Fe_xO), Lime (CaO), Periclase (MgO), Magnesiowustite (MgO-Fe_xO).

End-members in pure compound database FToxidBase.cdb: CaO, MgO and MnO solids.

Can NOT be used for wustite (Fe_xO) solutions at all oxygen contents.  With FToxid-MONOA, wustite is approximated as stoichiometric FeO.  (Use instead FToxid-MeO__).

Copper oxide is not a component of FToxid-MONOA and so the calculated content of Cu will always be zero if you use FToxid-MONOA.   If Cu is present use FToxid-MONOB or FToxid-MONO?.

Co,Cr and Fe(III) are not components of FToxid-MONO and so the calculated contents of Co,Cr and Fe(III) will always be zero if you use FToxid-MONO.  If these components are present in appreciable amounts, use FToxid-MeO_.

If CaO is present there is a possible miscibility gap.  (Use I option.)

[FToxid-MONOB] BMonoxide

OXIDE solution  -  monoxide (rocksalt structure)

Approved optimized sub-system of FToxid-MONO

Update of FACT-MONO

MgO solid (periclase) with Cu₂O in dilute solution

End-members in pure compound database FToxidBase.cdb: MgO solid.

No other oxides are components of FToxid-MONOB, and so the calculated contents of all oxides other than MgO and Cu₂O will be zero if you choose FToxid-MONOB.

Never select both FToxidMeO_ and FToxid-MONO simultaneously.

[FToxid-MONO?] ?Monoxide

OXIDE solution  -  monoxide (rocksalt structure)

Update of FACT-MONO

(Fe(II)O,CaO,MgO,NiO,MnO) at all compositions + (Al,Cu,Ti,Zn,Zr in dilute amounts)

In general, if Ti, Cu and Zr are not present in appreciable amounts, it is better to use FToxid-MeO_.

Mineralogical names: Wustite (Fe_xO), Lime (CaO), Periclase (MgO), Magnesiowustite (MgO-Fe_xO).

End-members in pure compound database FToxidBase.cdb: CaO, MgO, MnO, NiO solids.

Never  select both FToxidMeO_ and FToxid-MONO simultaneously.

Can NOT be used for wustite (Fe_xO) solutions at all oxygen contents.  With FToxid-MONO, wustite is approximated as stoichiometric FeO.  (Use instead FToxid-MeO__).

Scroll up to see descriptions of FToxid-MONOA and FToxid-MONOB.  Interactions of copper with all components of the solution except MgO have not been evaluated and are assumed ideal.  Calculations involving the simultaneous presence of Cu and these other elements are therefore only very approximate.

Co,Cr and Fe(III) are not components of FToxid-MONO and so the calculated contents of Co,Cr and Fe(III) will always be zero if you use FToxid-MONO.  If these components are present in appreciable amounts, use FToxid-MeO_.

If CaO is present there is a possible miscibility gap.  (Use I option.)

[FToxid-ZrOc] ZrO2-cubic

OXIDE solution – cubic zirconia

Cubic ZrO₂ + (Al₂O₃,CaO,FeO,MgO,MnO and TiO₂ in solution)

Valid only when rich in ZrO₂

End-members in pure compound database FToxidBase.cdb: ZrO₂ (S3).

[FToxid-ZrOt] ZrO2-tetragonal

OXIDE solution – tetragonal zirconia

Tetragonal ZrO₂ with Al₂O₃,CaO,FeO,MgO,MnO and TiO₂ in solution

Valid only when rich in ZrO₂

End-members in pure compound database FToxidBase.cdb: ZrO₂ (S2).

[FToxid-Rhod] Rhodonite

OXIDE solution – rhodonite

MnSiO₃ with CaSiO₃ and CoSiO₃ in solution in limited amounts

Valid only if rich in MnSiO₃.

End-members in pure compound database FToxidBase.cdb: MnSiO₃ solid.

References: 2027, 6026

[FToxid-AlSp] Al-Spinel

Oxide solution – aluminate spinel containing Mn

Update of FACT-AlSp

FeAl₂O₄-MgAl₂O₄-MnAl₂O₄   + (Al₂O₃ in solution)

Mineralogical names: Hercynite (FeAl₂O₄), Spinel (MgAl₂O₄), Galaxite (MnAl₂O₄).

End-members in pure compound database FToxidBase.cdb: MnAl₂O₄.

Co,Cr,Ni and Zn are not components of FToxid-AlSp and so the calculated contents of these will always be zero if you use FToxid-AlSp.  For spinels containing appreciable amounts of Co,Cr,Ni or Zn, use FToxid-SPIN.

 Never select both FToxid-SPIN and FToxid-AlSp simultaneously. 

References: 6026

[FToxid-MnPy] Mn_Pyroxene

OXIDE solution – Mn-containing pyroxene

MnSiO₃-MgSiO₃-FeSiO₃ pyroxene solid solution

Calculations using FToxid-MnPy will be relatively imprecise.

If Mn is present in appreciable amounts, use FToxid-MnPy.  However Ca,Fe(III),Al and Zn are not components of FToxid-MnPy, so the calculated contents of these will always be zero if you use FToxid-MnPy.  For pyroxenes containing appreciable amounts of these elements, use FToxid-MgPy or FToxid-cPyr, oPyr, pPyr and LcPy.

Never select FToxid-MnPy if you have selected any of FToxid-cPyr, oPyr, pPyr, LcPy or MgPy.

[FToxid-ReAl] Re2O3+Al2O3_liquid

OXIDE solution – Liquid rare earth oxides plus Al₂O₃

Liquid solution:  Al₂O₃-La₂O₃-Ce₂O₃-Pr₂O₃-Nd₂O₃-Pm₂O₃-Sm₂O₃-Eu₂O₃-Gd₂O₃-Tb₂O₃-Dy₂O₃-Ho₂O₃-Er₂O₃-Tm₂O₃-Yb₂O₃-Lu₂O₃

Evaluations and optimization have been performed only for binary Al₂O₃-Re₂O₃ solutions (Re = rare earth).  Binary solutions between two rare earth oxides are assumed ideal.  Multicomponent solution interactions are estimated. 

Should be used to calculate solid/liquid phase equilibria only in Al₂O₃-Re₂O₃ binary systems.  (Possible ternary solid solutions have also not been evaluated.)

Never select FToxid-ReAl simultaneously with FToxid-SLAG.

References: 2001

[FToxid-MULL] Mullite

OXIDE solution – non-stoichiometric mullite

(Al₂O₃)₃(SiO₂)_{2 ± x}

Unless it is important to you to calculate the small non-stoichiometry, convergence is faster and surer if you use instead stoichiometric mullite Al₆Si₂O₁₃ from the compound database. (It is best not choose both stoichiometric mullite and FToxid-MULL simultaneously.)

Boron and Fe are not componens of FToxid-MULL and so the calculated contents of boron and Fe will always be zero if you use FToxid-MULL.  If boron or Fe are present in appreciable amounts, use FToxid-MulB or FToxid-MulF.

Do not select more than one of FToxid-MULL, FToxid-MulB or FToxid-MulF simultaneously.

References: 2004