SOLUTIONS (OXIDES) IN FToxid

 

 

[FToxid-SLAGA] A-Slag-liq

OXIDE  liquid/glass

 

Oxides of:

Al, As, B, Ba, Ca, Co, Cr(II), Cr(III), Cu(I), Fe(II), Fe(III), Ge, K, Mg, Mn(II),

Mn(III), Na, Ni, P, Pb, Si, Sn, Sr, Ti(III), Ti(IV), Zn, Zr + (S and F in dilute solution (<10%))

 

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, 2050, 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.  With NiO, the system CaO-MgO-NiO-SiO2 has recently been re-optimized.

 

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

2036, 2037, 2038, 2040, 6013, 6016, 6021, 6026, 6028, 6033, 6046, 2085, 2089,  2091, 2063, 2066, 2092, 2103

 

 

(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.  The system MnO-Mn2O3-FeO-

     Fe2O3-CrO-Cr2O3 has been partially evaluated/optimized.

 

     (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, 2035, 2040, 6008, 6031, 2056

 

(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(II),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, 2033, 2034, 2040, 2041, 2059

 

(6) Slags containing ZrO2

 

Oxides of: Al,Ca,Fe(II),Fe(III),Mg,Si + Mn(II),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, for all ternaries and all higher order systems of the Al2O3-CaO-MgO-SiO2-ZrO2 system, and for quaternary Al2O3-SiO2-TiO2-ZrO2 solutions (including all four ternary sub-systems). Best calculations, therefore, will be obtained in the Al2O3-CaO-MgO-SiO2-ZrO2 and Al2O3-SiO2-TiO2-ZrO2 systems, at compositions in or near all binary systems, and at relatively low concentrations of  MnO, FeO and Fe2O3.

References: 2108, 2109, 2110

 

(7) Slags containing B2O3

 

In the presence of B2O3, for the system Al2O3-CaO-MgO-SrO-BaO-SiO2-B2O3-Na2O

all available data have been re-evaluated and re-optimized for the Al2O3-B2O3-CaO-MgO-SrO-BaO-SiO2 system including all ternary sub-systems and for the B2O3-Na2O-SiO2 system. The MnO-B2O3 system has recently been optimized.

 

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

 

References:  2044, 2055, 2045, 2046

 

(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:

 

The system Na2O-K2O-CaO-MgO-Al2O3-SiO2 has recently been re-evaluated and re-optimized [Sergei A. Decterov and Eugene Jak; Youn-Bae Kang and In-Ho Jung; Dong-Geun Kim and In-Ho Jung: unpublished work], as has the system Na2O-B2O3-SiO2 [2046]. The binary systems Na2O-TiO2 and K2O-TiO2 have been evaluated/optimized. The Na2O-FeO-Fe2O3-Al2O3-SiO2 system has recently been optimized [Elmira Moosavi-Khoonsari and In-Ho Jung].

However, only rough estimation can be made for the liquidus in multicomponent Na2O- and K2O-containing systems that are far from the optimized subsystems mentioned above.

 

 

References: 2003, 2005, 2006, 2046, 2047, 2072, 2011, 2012, 2013, 2014

 

(10) Systems containing BaO and SrO

 

The system BaO-SrO-Al2O3-B2O3-CaO-MgO-SiO2 has recently been optimized [Adarsh Shukla, Ph.D. Thesis, École Polytechnique de Montréal].  The systems BaO-MnO and BaO-CaO-MnO have been optimized for calculating BaO behavior in CaO-SiO2-MnO slags for ferromanganese production [In-Ho Jung, unpublished work].

 

(11) Systems containing P2O5

 

For the system P2O5-SiO2-Al2O3-CaO-MgO-BaO- FeOx-MnO-Na2O, all binary P2O5-containing subsystems have been evaluated and optimized. In addition, the key subsystems CaO-MgO-P2O5, CaO-SiO2-P2O5, CaO-Al2O3-P2O5 and CaO-FeO-Fe2O3-P2O5 have been optimized and the subsystems Na2O-CaO-P2O5, Na2O-MgO-P2O5 and Na2O-SiO2-P2O5 have been approximately evaluated. This can be used for evaluation of the P equilibria among liquid slag, iron/steel, gas.

 

Liquidus calculations for P2O5-containing systems that substantially deviate from the optimized subsystems mentioned above may be not accurate.

 

References: 2074, 2078, 2079, 2080, 2117

 

(12) 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 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: 2039, 2060, 2061, 2115, 2116

 

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: 2029, 2030, 2031, 2032, 2035, 2036, 2037, 2038, 2039, 2040, 2042, 2043 References: 2044, 2045, 2046, 2047, 2050, 2051, 2055, 4007, 4008, 4010

References: 6008, 6009, 6013, 6016, 6019, 6020, 6021, 6026, 6028, 6033, 6046

 

(13) Solubility of Fluoride:

 

The separate solution [FToxid-OXFL], Liq-Oxyfluoride, for oxide liquid/glass containing fluoride has been eliminated in FactSage 7.3 and replaced with FToxid-SLAGA.

 

The calculations are most accurate for the (Ca,Mg,Na,K,Al,Si//O,F) system, which can also contain minor amounts of Fe2+, Fe3+, Cr2+, Cr3+, Mn2+, Mn3+. Sulfide solubility in the (Ca,Mg,Na,Al,Si//O,F) system has also been tested. The database can accurately calculate phase equilibria up to about 50% of fluorides+sulfides. The database can be used even for fluoride systems without oxides, but it is less accurate than the FTsalt database.

 

 

[FToxid-SLAGB] B-Slag-liq

Oxide liquid/glass containing sulfate

 

Oxides of: Al,As,B,Ca,Fe(III),K,Mg,Mn(II),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.

 

Note that equilibria between slags/glasses containing Na2O or B2O3 and other oxide phases will be calculated more accurately with FToxid-SLAGA than with FToxid-SLAGB.

 

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 XAl2O3 < 0.5.

 

Data were optimized only for:

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

CaO-SiO2-Al2O3                     various compositions                             1500-1650oC

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

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] C-Slag-liq

Oxide liquid/glass containing phosphate

 

SLAGC has been eliminated in FactSage 7.0. The solubility of P2O5 in oxide liquid/glass is now more accurately described by SLAGA.

 

[FToxid-SLAGD] D-Slag-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.

 

Note that equilibria between slags/glasses containing Na2O or B2O3 and other oxide phases will be calculated more accurately with FToxid-SLAGA than with FToxid-SLAGD.

 

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, 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 1200oC for X(SiO2) / [X(M2O) + X(SiO2)] < 0.5 where M = Na or K

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

Na2O-B2O3 at 1200oC for X(SiO2) / [X(Na2O) + X(BO1.5)] < 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] E-Slag-liq

Oxide liquid/glass containing water/hydroxide

 

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

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

 

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

 

Note that equilibria between slags/glasses containing Na2O or B2O3 and other oxide phases will be calculated more accurately with FToxid-SLAGA than with FToxid-SLAGE.

 

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, 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                            1300oC

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

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

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

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

CaO-MgO-Al2O3-SiO2-FeO                                                               1600oC

 

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, 2043

 

 

 

[FToxid-SLAGF] F-Slag-liq

Oxide liquid/glass containing iodide

 

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

    + I in dilute solution (< 10 weight %)

 

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

 

Note that equilibria between slags/glasses containing Na2O or B2O3 and other oxide phases will be calculated more accurately with FToxid-SLAGA than with FToxid-SLAGF.

 

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, 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-SLAGG] G-Slag-liq

Oxide liquid/glass containing carbide, nitride and cyanide

 

FToxid-SLAGG has been removed in FactSage 6.4.  For calculations of solubilities of C and N in oxide melts, use the FTOxCN database.

 

 

[FToxid-SLAGH] H-Slag-liq

Oxide liquid/glass containing fluoride and chloride

 

 

 

Oxides of: Al,As,B,Ca,Co,Cr(II),Cr(III),Cu(I),Fe(II),Fe(III),Ge,K,Mg,Mn(II),Na,Ni,Pb,Si,Sn,Ti(III),Ti(IV),Zn,Zr + (F, Cl in dilute solution (<10%))

(The composition limit of CaF2 can be extended to approximately 50 mol% for calculations of the solidification path of cuspidine (3CaO)(2SiO2)(CaF2) in the CaO-SiO2-CaF2 ternary system.)

 

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

Oxyfluoride liquid Ca,Mg,Na,Al,Si,(K)//O,F is more accurately described by FToxid-SLAGA, which can calculate simultaneously the solubility of fluorides and sulfides and can accurately calculate phase equilibria up to more than 50% of fluorides plus sulfides. However, SLAGH allows calculating the solubility of fluorides and chlorides simultaneously.

 

Note that equilibria between slags/glasses containing Na2O or B2O3 and other oxide phases will be calculated more accurately with FToxid-SLAGA than with FToxid-SLAGH.

 

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, 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 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, 2041

 

 

[FToxid-SLAG?] ?-SLAG-liq

Oxide liquid/glass

 

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 S and F in dilute solution.  That is, FToxid-SLAGA is equivalent to FToxid-SLAG? except for the calculation of the solubilities of SO4, PO4, CO3, H2O/OH, I, Cl, F, C, N, and CN.  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).

 

Note further that equilibria between slags/glasses containing Na2O or B2O3 and other oxide phases will be calculated more accurately with FToxid-SLAGA than with FToxid-SLAG?.

 

[FToxid- OXFL] Liq-Oxyfluoride

Oxide liquid/glass containing fluoride

 

This solution has been eliminated in FactSage 7.3 and replaced with FToxid-SLAGA.

 

 

[FToxid-SPINA] A-Spinel

OXIDE Spinel (Cubic)

 

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

(2+ and 3+ oxidation states only)

 

Mineralogical names: Spinel (MgAl2O4), 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-SPINA and so the calculated content of Mn will always be zero if you use FToxid-SPINA.  For spinels containing appreciable amounts of Mn, use FToxid-SPINB.

 

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

Also use I option for MgO-Al2O3 spinel.

 

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

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

 

 

[FToxid-SPINB] B-Spinel

OXIDE Spinel (Cubic)

 

AB2O cubic spinel containing Mn(II)-Mn(III)-Mn(IV)-Fe(II)-Fe(III)-Cr(II)-Cr(III)-Mg(II)-Al(III)-O

 

Mineralogical names:  Magnetite (Fe3O4), Manganoferrite (MnFe2O4), Manganochromite (MnCr2O4), Chromite (FeCr2O4), Galaxite (MnAl2O4).

 

Oxides of elements other than Mn, Fe, Cr, Mg and Al are not components of FToxid-SPINB, and so the calculated contents of any other oxides will always be zero if you use FToxid-SPINB.  For systems containing other oxides, use FToxid-SPINA.

 

Evaluated and optimized over all compositions.

 

FToxid-SPINB replaces FToxid-AlSp, which has been eliminated in FactSage 7.3.

 

References: 2035, 2036, 2037, 2040

 

 

[FToxid-SPIN?] ?-Spinel

OXIDE Spinel (Cubic)

 

Never select FToxid-SPIN? as erroneous calculations will almost certainly result. 

 

 

[FToxid-AlSp] Al-Spinel

Oxide solution – aluminate spinel containing Mn

 

This solution has been eliminated in FactSage 7.3 and replaced by FToxid-SPINB.

 

[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-TSpi] Tetragonal spinel

OXIDE solution – Tetragonal spinel

 

Low-temperature Mn3O4 dissolving Fe, Cr, Al and Mg.

 

[Fe(II),Fe(III),Mn(II),Mn(III),Cr(II),Cr(III),Al(III),Mg(II)][Fe(II),Fe(III),Mn(II),Mn(III),Cr(III),Al(III),Mg(II),Va]2O4

 

Mineralogical name:  Hausmanite

 

References: 2035, 2036, 2037, 2040

 

 

[FToxid-MeO_A] A-Monoxide

OXIDE monoxide (rocksalt structure) solution

 

Approved sub-system of FToxid-MeO_

 

Note that the former phase FToxid-MONO has now been combined with FToxid-MeO and merged into it.

 

Fe(II)O,CaO,MgO,SrO,BaO,Mn(II)O,NiO,CoO at all compositions + (Al,Fe(III),Cr(III),Na,Ti(IV),Zn,Zr  in dilute amounts)

 

Mineralogical names: Wustite (FexO), Lime (CaO), Periclase (MgO), Magnesiowustite (MgO-FexO), Manganowustite (Mn-Fe)xO, Manganosite (MnxO).

 

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

 

Evaluated and optimized at all compositions.

 

Can be used for wustite (FexO) solutions at all oxygen contents.  However, Mn(III) is not included in FToxid-MeO_A and so MnO will always be calculated as stoichiometric.

 

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

 

If CaO, SrO or BaO are present, there is a possible miscibility gap.  (Use I option.)

 

References: 2010, 2019, 2020, 2023, 2024, 2027, 2028, 2029, 2030, 2032, 2033, 2051

References: 6009, 6013, 6016, 6020, 6021, 6026, 6029, 6031

 

[FToxid-MeO_B] B-Monoxide

OXIDE monoxide (rocksalt structure) solution

 

Approved sub-system of FToxid-MeO_

 

Note that the former phase FToxid-MONO has now been combined with FToxid-MeO and merged into it.

 

Fe(II)O,MgO,Mn(II)O at all compositions + (Fe(III),Cr(III),Mn(III)  in dilute amounts)

 

Mineralogical names: Manganowustite (Mn-Fe)xO

 

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

 

Evaluated and optimized at all compositions.

 

Can be used for wustite (Fe,Mn)xO solutions at all oxygen contents. 

 

Ca, Cu, Mg, Ni and Co are not components of FToxid-MeO_B and so the calculated contents of these oxides 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_C.

 

References: 2035, 2036, 2037, 2038

 

 

[FToxid-MeO_C] C-Monoxide

OXIDE monoxide (rocksalt structure) solution

 

Approved optimized sub-system of FToxid-MeO_

 

Note that the former phase FToxid-MONO has now been combined with FToxid-MeO and merged into it.

 

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-MeO_C, and so the calculated contents of all oxides other than MgO and Cu2O will be zero if you choose FToxid-MeO_C.

Use FToxid-MeO_A or FToxid-MeO_C when other oxides are present.

 

 

[FToxid-MeO_?] ?-Monoxide

OXIDE monoxide (rocksalt structure) solution

 

Note that the former phase FToxid-MONO has now been combined with FToxid-MeO and merged into it.

 

 Fe(II)O,CaO,MgO,SrO,BaO,Mn(II)O,NiO,CoO at all compositions + (Al,Cu(I),Fe(III),Cr(III),Mn(III),Na,Ti(III),Zn,Zr  in dilute amounts)

 

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

 

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

 

If CaO, SrO or BaO are present, there is a possible miscibility gap.  (Use I option.)

 

References: 2010, 2019, 2020, 2023, 2024, 2027, 2028, 2029, 2030, 2032, 2033, 2051

References: 2035, 2036, 2037, 2038

References: 6009, 6013, 6016, 6020, 6021, 6026, 6029, 6031

 

 

[FToxid-cPyrA] A-Clinopyroxene

OXIDE solution – clinopyroxene

 

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

 

Mineralogical names: Clino-enstatite (MgSiO3), (Metastable) 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.

 

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

 

References: 2020, 2031, 2032

 

 

[FToxid-cPyrB] B-Clinopyroxene

OXIDE solution – clinopyroxene

 

A complete solid solution between CaM2+Si2O6 and CaN2+Si2O6 with a limited solubility of M2+SiO3, where M2+ and N2+ are Mg, Fe, Ni, Zn, Mn.

 

Mineralogical names: Clino-enstatite (MgSiO3), (Metastable) clino-ferrosilite (FeSiO3), Diopside (CaMgSi2O6), Hedenbergite (CaFeSi2O6), Niopside (CaNiSi2O6), Petedunnite  (CaZnSi2O6), Johannsenite (CaMnSi2O6).

 

End-members in pure compound database FToxidBase.cdb: CaMgSi2O6, CaFeSi2O6, MgSiO3, FeSiO3 and CaNiSi2O6.

 

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

 

(Ca,Mg,Fe,Ni,Zn,Mn)[Mg,Fe,Ni,Zn,Mn]Si2O6

 

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

 

References: 2020, 2031, 2032

 

 

[FToxid-cPyrC] C-Clinopyroxene

OXIDE solution – clinopyroxene

 

MSiO3 – MAl2SiO6 – NaAlSi2O6 solution (where: M = Fe(II), Ca, Sr, Mg)

 

Mineralogical names: Clino-enstatite (MgSiO3), (Metastable) 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, Jadeite (NaAlSi2O6).

 

End-members in pure compound database FToxidBase.cdb: CaMgSi2O6, CaFeSi2O6, CaAl2SiO6 and NaAlSi2O6 solids, FeSiO3 (S1).

 

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

 

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

 

Evaluated and optimized at all compositions.

 

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

 

[FToxid-cPyrD] D-Clinopyroxene

OXIDE solution – clinopyroxene

 

MSiO3 – MAl2SiO6 – MFe2SiO6 – NaAlSi2O6 – NaFeSi2O6 solution (where: M = Fe(II))

 

Mineralogical names: Clino-enstatite (MgSiO3), (Metastable) clino-ferrosilite (FeSiO3), Aegirine (NaFe3+Si2O6), Jadeite (NaAlSi2O6).

 

End-members in pure compound database FToxidBase.cdb: NaFeSi2O6 and NaAlSi2O6 solids, FeSiO3 (S1).

 

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

 

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

 

Evaluated and optimized at all compositions.

 

 

[FToxid-cPyr?] ?-Clinopyroxene

OXIDE solution – clinopyroxene

 

Never select FToxid-cPyr? as erroneous calculations will almost certainly result.

 

 

[FToxid-oPyrA] A-Orthopyroxene

OXIDE solution – orthopyroxene

 

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

 

Mineralogical names: Ortho-enstatite (MgSiO3), (Metastable) 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.

 

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

 

References: 2020, 2031, 2032

 

[FToxid-oPyrB] B-Orthopyroxene

OXIDE solution – orthopyroxene

 

(Mg, Mn(II), Fe(II), Ca, Ni, Zn)SiO3 solution, MgSiO3-rich.

 

 

[FToxid-oPyr?] ?-Orthopyroxene

OXIDE solution – orthopyroxene

 

Never select FToxid-oPyr? as erroneous calculations will almost certainly result.

 

 

[FToxid-pPyrA] A-Protopyroxene

OXIDE solution – protopyroxene

 

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.

 

Ni and Zn are not components of FToxid-pPyrA and so the calculated content of Ni and Zn will always be zero if you use FToxid-pPyrA.  If Ni is present in appreciable amounts, use FToxid-pPyrB.  If Zn is present in appreciable amounts, use FToxid-pPyrC.

 

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

 

References: 2020, 2031, 2032

 

 

[FToxid-pPyrB] B-Protopyroxene

OXIDE solution – protopyroxene

 

(Mg, Mn(II), Fe(II), Ca, Ni, Zn)SiO3 solution, MgSiO3-rich.

 

Mineralogical names: Proto-enstatite (MgSiO3).

 

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

 

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

 

(Ca,Mg,Fe(II),Ni,Zn,Mn)[Mg,Fe(II),Ni,Zn,Mn]Si2O6

 

Fe(III) and Al are not components of FToxid-pPyrB and so the calculated content of Fe(III) and Al will always be zero if you use FToxid-pPyrB.  If Fe(III) or Al is present in appreciable amounts, use FToxid-pPyrA.

 

References: 2020, 2031, 2032

 

 

[FToxid-pPyr?] ?-Protopyroxene

OXIDE solution – protopyroxene

 

Never select FToxid-pPyr? as erroneous calculations will almost certainly result.

 

 

[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

 

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

 

Possible miscibility gap. (Use I option.)

 

References: 2032

 

 

[FToxid-Rhod] Rhodonite

OXIDE solution – rhodonite

 

MnSiO3 + (CaSiO3, CoSiO3, FeSiO3, MgSiO3 in dilute amounts)

 

Mineralogical names: Rhodonite (MnSiO3)

 

The former FToxid-MnPy phase has now been merged into FToxid-Rhod as these are the same phase and the structure is not that of pyroxene.

 

Valid only if rich in MnSiO3.

 

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

 

References: 2027, 2038, 2040, 6026

 

 

[FToxid-P-Mn] Pyroxmangite

OXIDE solution – pyroxmangite

 

MnSiO3 - MgSiO3 solution stable at ~10-50 mol % MnSiO3

 

 

[FToxid-Bixb] Bixbyite

OXIDE solution – Bixbyite

 

Orthorhombic Mn2O3 + (Fe2O3, Cr2O3, Al2O3 in dilute amounts)

 

End members in pure compound database FToxidbase.cdb:  Mn2O3(S2)

 

References: 2035, 2036, 2037, 2040

 

 

[FToxid-Brau] Braunite

OXIDE solution – Braunite

 

Non-stoichiometric Mn7SiO12 with excess Mn2O3, dissolving Mg:

[(Mn2,MgSi)3O9]{(Mn2,MnSi)O3}

 

References:  2038, 2040

 

 

[FToxid-WOLL] Wollastonite

OXIDE solution – Wollastonite

 

CaSiO3 with MgSiO3, FeSiO3, MnSiO3, SrSiO3 and BaSiO3 in solution.

 

Mineralogical names: Wollastonite (CaSiO3)

 

Valid only if rich in CaSiO3.

 

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

 

References: 2027, 2032, 6026

 

 

[FToxid-Bred] Bredigite

OXIDE solution – Bredigite

 

Ca3(Ca,Mg)4Mg(SiO4)4 – a solid solution originating from Ca7Mg(SiO4)4 by substitution of some Ca by Mg.

 

Mineralogical names: Bredigite

 

 

[FToxid-aC2SA] A-a-(Ca,Sr)2SiO4

OXIDE solution  alpha-(Ca,Sr)2SiO4

 

(Ca,Sr)2SiO4 + (Mg2SiO4, Fe2SiO4, Mn2SiO4, Ba2SiO4, K4SiO4, Ca3B2Oin dilute amounts)

 

Fictitious solubility of CaF2 in alpha-Ca2SiO4 was introduced to reproduce the liquidus of Ca2SiO4 in the CaO-SiO2-CaF2 system.

 

Either Ca2SiO4 or Sr2SiO4 must be present.

 

End-members in pure compound database FToxidBase.cdb: Ca2SiO4(S3), Sr2SiO4(S3).

 

Phosphorus is not a component of FToxid-aC2SA and so the calculated phosphorus content will always be zero if you use FToxid-aC2SA.  For solutions containing appreciable amounts of phosphorus, use FToxid-C2SP.

 

Never select both FToxid-C2SP and FToxid-aC2SA simultaneously.

 

References: 2027, 2032, 2045, 6026

 

 

[FToxid-bC2SA] A-a'(Ca,Sr,Ba)2SiO4

OXIDE solution  alpha-prime (Ca,Sr,Ba)2SiO4

 

Ca2SiO4 – Sr2SiO4 – Ba2SiO4 solution + (Mg2SiO4, Fe2SiO4, Mn2SiO4, Pb2SiO4, Zn2SiO4, Ca3B2O6 in dilute amounts)

 

Ca2SiO4, Sr2SiO4 or Ba2SiO4 must be present.

 

End-members in pure compound database FToxidBase.cdb: Ca2SiO4(S2), Sr2SiO4(S2) and Ba2SiO4(S1).

 

References: 2015, 2027, 2032, 2045, 2047, 6009, 6013, 6016, 6020, 6021, 6026

                                                                                                   

[FToxid-bC2SB] B-a'(Ca,Sr,Ba)2SiO4

OXIDE solution  alpha-prime (Ca,Sr,Ba)2SiO4

 

Fictitious solubility of CaF2 in alpha-prime Ca2SiO4 was introduced to reproduce the liquidus of Ca2SiO4 in the CaO-SiO2-CaF2 system.

 

Ca2SiO4 + (CaF2, Mg2SiO4, Fe2SiO4, Mn2SiO4, Pb2SiO4, Zn2SiO4 in dilute amounts)

 

Ca2SiO4 must be present.

 

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

 

 

[FToxid-bC2SC] C-a'(Ca,Sr,Ba)2SiO4

OXIDE solution  alpha-prime (Ca,Sr,Ba)2SiO4

 

Ca2SiO4 + (Mg2SiO4, Fe2SiO4, K4SiO4, Ca3B2O6 in dilute amounts)

 

Ca2SiO4 must be present.

 

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

 

 

[FToxid-Mel_A] A-Melilite

OXIDE solution  melilite

 

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, Ca2FeSi2O7, Ca2Al2SiO7, Ca2ZnSi2O7, Pb2ZnSi2O7.

 

Evaluated and optimized at all compositions where data are available.

 

References: 6009, 6013, 6016, 6020, 6021

 

 

[FToxid-Mel_B] B-Melilite

OXIDE solution  melilite

 

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

 

(Ca,Na)2[Al]{Al,Si}2O7

 

Mineralogical names: Gehlenite (Ca2Al2SiO7), Soda Melilite (CaNaAlSi2O7).

 

End-members in pure compound database FToxidBase.cdb: Ca2Al2SiO7.

 

Evaluated and optimized for FactSage 7.0 at all compositions where data are available.

 

 

[FToxid-Mel_C] C-Melilite

OXIDE solution  melilite

 

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

 

(Ca,Sr,Ba)2[Mg,Al,B]{Al,B,Si}2O7

 

Mineralogical names: Gehlenite (Ca2Al2SiO7), Akermanite (Ca2MgSi2O7), Okayamalite (Ca2B2SiO7), Ba-akermanite (Ba2MgSi2O7), Sr-akermanite (Sr2MgSi2O7), Sr-gehlenite (Sr2Al2SiO7).

 

End-members in pure compound database FToxidBase.cdb: Ca2MgSi2O7, Ca2Al2SiO7, Ca2B2SiO7, Ba2MgSi2O7, Sr2MgSi2O7, Sr2Al2SiO7.

 

This is the result of integration of the FToxid-Gehl solution into general melilite for FactSage 7.0. FToxid-Gehl has been removed.

 

Evaluated and optimized at all compositions where data are available.

 

References: 2045

 

 

[FToxid-Mel_D] D-Melilite

OXIDE solution  melilite

 

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

 

(Ca)2[Ni,Fe(II),Mg,Zn]{Si}2O7

 

Mineralogical names: Akermanite (Ca2MgSi2O7), Iron-akermanite (Ca2FeSi2O7), Hardystonite (Ca2ZnSi2O7).

 

End-members in pure compound database FToxidBase.cdb: Ca2MgSi2O7, Ca2ZnSi2O7, Ca2FeSi2O7.

 

Evaluated and optimized at all compositions where data are available.

 

References: 2092, 2103,

 

 

[FToxid-Mel_?] ?-Melilite

OXIDE solution  melilite

 

Never select FToxid- Mel_? as erroneous calculations will almost certainly result.

 

 

 

[FToxid-OlivA] A-Olivine

OXIDE solution    olivine

 

Mg2SiO4-Ca2SiO4-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), Larnite (Ca2SiO4)

 

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.

 

Cr2SiO4 is not a component of FToxid-OlivA and so if you use FToxid-OlivA the content of Cr will always be calculated as zero.  If Cr is present, use FToxid-OlivB.

 

Possible miscibility gap when Ca2SiO4 or Ni2SiO4 are present. (Use I option.)

 

References: 2018, 2020, 2027, 2031, 2032, 2038, 2040, 2063, 2066, 2092, 2103, 6016, 6026

 

 

[FToxid-OlivB] B-Olivine

OXIDE solution   olivine

 

Mg2SiO4 with Cr2SiO4 in solution

 

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

 

(Mg,Cr)[Mg,Cr]SiO4

 

Mineralogical names: Forsterite (Mg2SiO4)

 

Mg2SiO4 and Cr2SiO4 are the only components of FToxid-OlivB.  If other elements are present, use FToxid-OlivA.

 

End-members in pure compound database FToxidBase.cdb: Mg2SiO4(S1)

 

References: 2056

 

 

[FToxid-Oliv?] ?-Olivine

OXIDE solution   olivine

 

Never select FToxid-Oliv? as erroneous calculations will certainly result. 

 

 

[FToxid-Cord] Cordierite

OXIDE solution – cordierite

 

Al4Fe2Si5O18 – Al4Mg2Si5O18 solution

 

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

 

 

[FToxid-Mull] Mullite

OXIDE solution – mullite with borate in solution

 

Solid solution of non-stoichiometric mullite with B2O3 and Fe2O3 in solution.

 

Replaces former FToxid-MulF and FToxid-MULL.

 

[Al,Fe]2[Al,Si,B,Fe][O,Va]5

 

Possible miscibility gap. (Use I option.)

 

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

 

 

References: 2004, 2025, 2044, 2047, 2055, 6009, 6020

 

 

 

[FToxid-CORU] M2O3 (Corundum)

OXIDE solution – Corundum structure

 

Al2O3-Cr2O3-Fe2O3 + (Mn2O3, Ti2O3 in dilute amounts) corundum structure solution

 

Mineralogical names: Corundum (Al2O3), Hematite (Fe2O3), Eskolite (Cr2O3)

 

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

 

Fully evaluated and optimized at all compositions (dilute in Mn2O3 and Ti2O3) except for

Ti2O3 for which parameters have been evaluated only in the Al2O3-Ti2O3 binary system and have been estimated in the Cr2O3-Ti2O3 and Fe2O3-Ti2O3 systems)

 

Possible miscibility gap (Use I option.)

 

References: 2010, 2025, 2035, 2037, 2040, 6008

 

 

[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-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-ZNIT] Zincite

OXIDE solution - Zincite

 

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

 

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-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-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, 2033, 2034

 

 

[FToxid-ILMEA] A-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

 

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, 2033, 2034

 

 

[FToxid-ILMEB] B-Ilmenite 

OXIDE solution

 

Solid solution: Ti2O3 + (Al2O3 in dilute solution)

 

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

 

Use FToxid-ILME only under relatively reducing conditions.

 

Possible miscibility gap. (Use I option.)

 

References: 2041

 

 

[FToxid-ILME?] ?-Ilmenite 

OXIDE solution

 

Never select Ftoxid-ILME? as erroneous calculations will most likely result.

 

 

 

[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

 

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, 2033, 2034

 

 

[FToxid-TiSp] Titania_Spinel

OXIDE solution – titania spinel (cubic)

 

(Mg,Fe,Mn)[Mg,Fe,Mn,Ti(III),Ti(IV),Al]2O4

 

This is treated as a separate phase from FToxid-SPIN.

 

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 and only for Ti-rich solutions.  (Otherwise use FToxid-SPIN or FToxid-AlSp.)

 

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

 

The limited solubility of FeTi2O4 in Fe2TiO4 has been evaluated.

 

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

 

Possible miscibility gap. (Use I option.)

 

References: 2005, 2009, 2014, 2033, 2034, 2041, 2054

 

 

[FToxid-CaTi] Ca3Ti2O7-Ca3Ti2O6

OXIDE solution

 

Ca3Ti2O7 – Ca3Ti2O6 solution

 

 

[FToxid-PERO] Perovskite

OXIDE solution – perovskite

 

Ca2Ti2O6 – Ca2Ti2O5 solution

 

 

[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-ZrOm] ZrO2-monoclinic

OXIDE solution – monoclinic zirconia

 

Monoclinic ZrO2 with CaO, MgO and MnO in solution

 

Valid only when rich in ZrO2

 

End-members in pure compound database FToxidBase.cdb: ZrO2 (S1).

 

 

 [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-NCSO] combeite

OXIDE solution - combeite

 

Mineralogical name: combeite (Na2Ca2Si3O9)

 

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

 

(Na2,Ca)Na2(Ca,Na2)3CaSi6O18

 

 

[FToxid-Neph] Nepheline

OXIDE solution – Nepheline

 

Non-stoichiometric low-temperature NaAlSiO4 – KAlSiO4 solid solution, dissolving excess SiO2, Ca and Fe.

 

Miscibility gap below ~1000 °C.

References:  2047

 

 

[FToxid-Carn] Carnegieite

OXIDE solution – Carnegieite

 

Non-stoichiometric high-temperature NaAlSiO4 dissolving excess SiO2, K, Fe and Ca

 

References:  2047

 

 

[FToxid-LEU1] Leucite

OXIDE solution – Leucite

 

Leucite solution K2Al2Si4O12-K2MgSi5O12

 

End-members in pure compound database FToxidBase.cdb:

KAlSi2O6(S1) and K2MgSi5O12(S1)

 

 

[FToxid-KASH] KAlSiO4-HT

OXIDE solution – KAlSiO4-HT

 

Non-stoichiometric high-temperature kalsilite, KAlSiO4-K2MgSi3O8, with excess SiO2, Na and Ca.

 

End-members in pure compound database FToxidBase.cdb:

KAlSiO4(S2) and K2MgSi3O8(S2)

 

 

[FToxid-NASl] (Na)(Al,Fe)O2-LT

OXIDE solution

 

Non-stoichiometric low-temperature (Na)(Al,Fe)O2 with excess SiO2

 

Replaces former stoichiometric NaAlO2.

 

References:  2047

 

 

[FToxid-NASh] (Na)(Al,Fe)O2-HT

OXIDE solution

 

Non-stoichiometric high-temperature (Na)(Al,Fe)O2 with excess SiO2

 

Replaces former stoichiometric NaAlO2.

 

References:  2047

 

 

[FToxid-KA_L] KAlO2-LT

OXIDE solution

 

Non-stoichiometric low-temperature KAlO2-K2MgSiO4 with excess SiO2

 

End-members in pure compound database FToxidBase.cdb:

KAlO2(S1) and K2MgSiO4(S1)

 

 

[FToxid-KA_H] KAlO2-HT

OXIDE solution

 

Non-stoichiometric high-temperature KAlO2-K2MgSiO4 with excess SiO2

 

End-members in pure compound database FToxidBase.cdb:

KAlO2(S2) and K2MgSiO4(S2)

 

 

[FToxid-NCA2] Na2CaAl4O8

OXIDE solution

 

Na2CaAl4O8 solid solution Na2(Na2,Ca)Al4O8

 

 

[FToxid-C3A1] (Ca,Na2)Ca8Al6O18

OXIDE solution

 

(Ca,Na2)Ca8Al6O18 solid solution, Ca3Al2O6-rich

 

 

[FToxid-NAF6] beta''-Al2O3

OXIDE solution

 

Na2Al12O19 with Na2Fe12O19 in solution (Na2Al12O19-rich)

 

 

[FToxid-bbAl] K2Al12O19

OXIDE solution

 

Beta''-alumina solution: K2Al12O19 dissolving Mg (replaces K2Al12O19 compound)

 

 

[FToxid-b_Al] KAl9O14

OXIDE solution

 

Beta-alumina solution: KAl9O14 dissolving Mg (replaces KAl9O14 compound)

 

 

[FToxid-NS2l] (Na,K)2Si2O5_low-T

OXIDE solution

 

(Na,K)2Si2O5 low-temperature solution

 

End-members in pure compound database FToxidBase.cdb:

Na2Si2O5(S1) and K2Si2O5(S1)

 

 

[FToxid-NS2i] (Na,K)2Si2O5_Mid-T

OXIDE solution

 

(Na,K)2Si2O5 solution stable at intermediate temperatures

 

End-members in pure compound database FToxidBase.cdb:

Na2Si2O5(S2) and K2Si2O5(S2)

 

 

[FToxid-NS2h] (Na,K)2Si2O5_high-T

OXIDE solution

 

(Na,K)2Si2O5 high-temperature solution

End-members in pure compound database FToxidBase.cdb:

Na2Si2O5(S3) and K2Si2O5(S3)

 

 

[FToxid-NeSO] (K,Na)2SiO3

OXIDE solution

 

(Na,K)2SiO3 metasilicate solid solution

 

End-members in pure compound database FToxidBase.cdb:

Na2SiO3(S1) and K2SiO3(S1)

 

 

[FToxid-Roed] Roedderite

OXIDE solution

 

Roedderite solid solution (Na,K)2Mg5Si12O30

 

End-members in pure compound database FToxidBase.cdb:

Na2Mg5Si12O30(S1) and K2Mg5Si12O30(S1)

 

 

[FToxid-KCS1] K2CaSiO4

OXIDE solution

 

K2CaSiO4 with small solubility of Na2CaSiO4, K2MgSiO4 and Na2MgSiO4

 

End-members in pure compound database FToxidBase.cdb:

K2CaSiO4(S1)

 

 

[FToxid-Feld] Feldspar

OXIDE solution – Feldspar

 

NaAlSi3O8 – KAlSi3O8 – CaAl2Si2O8 – SrAl2Si2O8 – BaAl2Si2O8 – NaFeSi3O8 solution

 

Mineralogical names: Albite (NaAlSi3O8), Sanidine (KAlSi3O8), Anorthite (CaAl2Si2O8), Celsian (BaAl2Si2O8).

 

End-members in pure compound database FToxidBase.cdb: NaAlSi3O8(S2), KAlSi3O8(S1), CaAl2Si2O8(S2), SrAl2Si2O8(S1) and BaAl2Si2O8(S1).

 

Possible miscibility gap when Ca is present or when Sr and Ba are present simultaneously. (Use I option.)

 

 

[FToxid-M3Si] (Ba,Sr)3SiO5

OXIDE solution – (Ba,Sr)3SiO5

 

(Ba,Sr)3SiO5 with Ca3SiO5 in solution

 

 

[FToxid-C3Si] Ca3SiO5

OXIDE solution – Ca3SiO5

 

Ca3SiO5 with Sr3SiO5 in solution

 

[FToxid-Merw] Merwinite

OXIDE solution - Merwinite

 

Mineralogical name: merwinite (Ca,Sr,Ba)3MgSi2O8

 

[FToxid-C2BM] Ca2BaMgSi2O8

OXIDE solution

 

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

 

[Ca,Ba]2[Ba,Ca]MgSi2O8

 

 

[FToxid-BCSO] Ba2Ca(Ba,Ca)Si2O8

OXIDE solution

 

Ba3CaSi2O8 – Ba2Ca2Si2O8 solid solution

 

T-phase

 

 

[FToxid-PsWo] Pseudo-Wollastonite

OXIDE solution

 

(Ca,Sr)SiO3-rich, dissolving BaSiO3

 

Mineralogical name: pseudo-wollastonite (CaSiO3)

 

 

[FToxid-BaSi] BaSiO3

OXIDE solution

 

BaSiO3 dissolving calcium and strontium (BaSiO3-rich)

 

 

[FToxid-Wals] Walstromite

OXIDE solution - Walstromite

 

Mineralogical name: walstromite (BaCa2Si3O9)

 

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

 

[Ca,Ba,Sr][Ba,Ca,Sr]CaSi3O9

 

 

[FToxid-Ba8A] Ba8Al2O11

OXIDE solution

 

Ba8Al2O11 with Ca8Al2O11 and Sr8Al2O11 in solution (Ba8Al2O11-rich)

 

 

[FToxid-Me4A] (Sr,Ba)4Al2O7

OXIDE solution

 

(Sr,Ba)4Al2O7 with Ca4Al2O7 in solution

 

 

[FToxid-Me3A] (Ca,Sr,Ba)3Al2O6

OXIDE solution

 

(Ca,Sr,Ba)3Al2O6 cubic phase

 

 

[FToxid-MeAl] High-T-(Ba,Sr)Al2O4

OXIDE solution

 

High-temperature (Ba,Sr)Al2O4 with CaAl2O4 in solution

 

 

[FToxid-CaAl] CaAl2O4

OXIDE solution

 

CaAl2O4 with BaAl2O4 and SrAl2O4 in solution (CaAl2O4-rich)

 

 

[FToxid-SrAl] Low-T-SrAl2O4

OXIDE solution

 

Low-temperature SrAl2O4 with CaAl2O4 and BaAl2O4 in solution (SrAl2O4-rich)

 

 

[FToxid-BaAl] Low-T-BaAl2O4

OXIDE solution

 

Low-temperature BaAl2O4 with CaAl2O4 and SrAl2O4 in solution (BaAl2O4-rich)

 

 

[FToxid-MeA2] (Ca,Sr)Al4O7

OXIDE solution

 

(Ca,Sr)Al4O7 solid solution

 

 

[FToxid-MeA6] (Ca,Sr,Ba)Al12O19

OXIDE solution

 

(Ca,Sr)Al12O19 with magnetoplumbite structure dissolving BaAl12O19

 

 

[FToxid-bAlu] Beta-alumina

OXIDE solution

 

Ba3Al44O69-BaAl10MgO17-Sr3Al44O69-SrAl10MgO17 solution

 

 

[FToxid-BaB2] BaB2O4

OXIDE solution

 

BaB2O4 with CaB2O4 and SrB2O4 in solution (BaB2O4-rich)

 

 

[FToxid-MeB2] (Ca,Sr)B2O4

OXIDE solution

 

(Ca,Sr)B2O4 with BaB2O4 in solution

 

 

[FToxid-BaB8] BaB8O13

OXIDE solution

 

BaB8O13 with CaB8O13 and SrB8O13 in solution (BaB8O13-rich)

 

 

[FToxid-C2SP] a-C2S-C3P

OXIDE solution

 

alpha-Ca2SiO4 – Ca3P2O8 solid solution

 

End-members in pure compound database FToxidBase.cdb: Ca2SiO4(S3), Ca3P2O8(S3).

 

Mg, Fe, Mn, Ba and B are not components of FToxid-C2SP and so the calculated contents of these will always be zero if you use FToxid-C2SP.  For silicate systems containing appreciable amounts of Mg, Fe, Mn, Ba or B, use FToxid-aC2SA.

 

For systems containing large amounts of both Mg and P, but a small amount of Si, use FToxid-C3Pr.

 

Select only one of the following solutions, which describe the same phase: FToxid-C2SP, FToxid-aC2SA and FToxid-C3Pr.

 

 

[FToxid-C3Pr] alpha’-Ca3P2O8

OXIDE solution

 

Alpha-prime Ca3P2O8 stable at high temperatures with Mg3P2O8 in solution (Ca3P2O8-rich)

 

Si is not a component of FToxid-C3Pr and so the calculated contents of silicates will always be zero if you use FToxid-C3Pr.  If the solubility of silicates in Ca3P2O8 is more important than the solubility of Mg, use FToxid-C2SP.

 

End-members in pure compound database FToxidBase.cdb: Ca3P2O8 (S3).

 

Select only one of the following solutions, which describe the same phase: FToxid-C2SP, FToxid-aC2SA and FToxid-C3Pr.

 

 

[FToxid-C3Pa] alpha-Ca3P2O8

OXIDE solution

 

Alpha-Ca3P2O8 stable at intermediate temperatures with Mg3P2O8 in solution (Ca3P2O8-rich)

 

End-members in pure compound database FToxidBase.cdb: Ca3P2O8 (S2).

 

 

[FToxid-C3Pb] beta-Ca3P2O8

OXIDE solution

 

Beta-Ca3P2O8 stable at low temperatures with Mg3P2O8 in solution (Ca3P2O8-rich)

 

End-members in pure compound database FToxidBase.cdb: Ca3P2O8 (S1).

 

 

[FToxid-M3Pa] Mg3P2O8

OXIDE solution

 

Mg3P2O8 with Ca3P2O8 in solution (Mg3P2O8-rich)

 

End-members in pure compound database FToxidBase.cdb: Mg3P2O8 (S1).

 

 

[FToxid-CMPc] (Ca,Mg)3Mg3P4O16

OXIDE solution

 

Ca3Mg3P4O16-based solid solution in the Mg3P2O8 Ca3P2O8 section

 

 

[FToxid-M2Pa] Mg2P2O7-HT

OXIDE solution

 

Mg2P2O7 stable at high temperatures with Ca2P2O7 in solution (Mg2P2O7-rich)

 

End-members in pure compound database FToxidBase.cdb: Mg2P2O7 (S2).

 

 

[FToxid-CaFh] CaF2-HT

OXIDE solution

 

CaF2 stable at high temperatures with CaO in solution (CaF2-rich)

 

End-members in pure compound database FToxidBase.cdb: CaF2 (S2).

 

 

[FToxid-CaFl] CaF2-LT

OXIDE solution

 

CaF2 stable at low temperatures with CaO in solution (CaF2-rich)

 

End-members in pure compound database FToxidBase.cdb: CaF2 (S1).