ferrous applications database selection - Polytechnique Montréal · 2015. 2. 12. · Database...

Database Selection for Ferrous Applications 1

DATABASE SELECTION FOR

FERROUS APPLICATIONS


Contents

Topics Slide #

FactSage databases for steelmaking:

History and important solution phases

3

Steelmaking chemistry and availability of database 10

Important phase diagrams for steelmaking processes 12

Slag viscosity database 33


FactSage databases for steelmaking applications

Brief History of Database Development

Important Solution Phases for Steelmaking Applications

Ref. : I.-H. Jung, “Overview of the applications of thermodynamic databases

to steelmaking processes”, Calphad, 2010, vol. 34, pp. 332-362.


Databases in FactSage

Brief History of FactSage Database Development

1976~2001: FACT 2001~present: FactSage (a fusion of FACT + ChemSage)

< 1998 : FACT database (before 1998)

1999~2003 : FACT53 database

2000~2004 : FACT Consortium project (2000~2004): 16 companies

pyrometallurgy (ferrous, non-ferrous), hydrometallurgy-corrosion, glassmaking

- FACT53 database FToxid, FTmisc, FThall, FTsalt, FThelg,..

- New alloy databases: FSstel, FSlite, FScopp, SGTE, ….

2004~2010 : Mini-consortiums

- Al consortium (Alcoa, Alcan, and Norsk-Hydro)

- Glass consortium (Corning, Schott, and Saint-Gobain)

- Light alloy (Al, Mg) consortium (Al consortium, GM, MagNET): FTlite

2009~present : Mini-consortiums

- Al consortium (3 companies), Glass consortium (3 companies)

- Steelmaking consortium: 11 companies Consortium database (‘CON1 or CON2’)


Databases in FactSage for Steelmaking Applications

FactPS (pure substances database): All gaseous species, stoichiometric solid and

liquid species (organic, inorganic) Similar to thermodynamic tables like JANAF,

Barin-Kubaschewski. (When you need a “Gas” phase you always have to select this

database).

FToxid: Frequently updated oxide database containing

- many solution phases (slag, spinel, monoxide, olivine, etc.)

- pure solid and liquid oxides, no gas phase

FTmisc: FeLq solution

- most reliable liquid steel database for steelmaking calculations

(slags/refractories/gases/molten iron)

FSstel: solid and liquid steel phases

(also includes a small number of gases, oxides, sulfides, nitrides, etc.)

- for steel solidification and alloy design.

- liquid steel: reasonable calculations for steelmaking applications

For steelmaking calculations:

priority: FToxid > FeLq > FactPS

(In the FactSage 6.4 and later versions, the best selections of compounds among

multiple compound databases are provided automatically. But solutions must be

selected carefully.)


FToxid database Main solution phases when T > 1550oC (steelmaking)

Slag (I option): CaO-MgO-Al2O3-SiO2-FeO-Fe2O3-MnO-Mn2O3-Ti2O3-TiO2…

+ Gas solubility such as S (SO2), P, H (OH), N, C, F, …

- All oxide components + sulfides: valid for liquid oxy-sulfide solution over a wide range

- (Ca,Al,Mg,Si,Na//O,F): liquid oxy-fluoride valid up to ~ 50% fluoride content.

Spinel (I option) (SPIN): (Mg,Fe,Mn,Co,Ni,Zn)(Al,Fe,Cr,Co,Mn,Va)2O4, extensive solid solution

containing MgAl2O4, MgCr2O4, MgFe2O4, FeCr2O4, Fe3O4, FeAl2O4, Cr3O4, MnAl2O4, MnCr2O4,

MnFe2O4, etc.

Al spinel (AlSp): (Fe,Mg,Mn)Al2O4-Al2O3 solution

a-, a’-Ca2SiO4 (aC2S, bC2S): Ca2SiO4 (C2S)-rich solution with limited solubility of Mg2SiO4,

Fe2SiO4, Mn2SiO4,etc.

Olivine (Oliv): Mg2SiO4, Fe2SiO4, etc. (Mg,Fe,Ca,Mn,Ni,Zn,Co,Cr,etc.)2SiO4, covering forsterite

(Mg2SiO4), fayalite (Fe2SiO4), -Ca2SiO4, monticellite CaMgSiO4, tephroite Mn2SiO4.

Use I option specially when Ca2SiO4 is present.

Corundum (CORU): (Al,Cr,Fe,Mn)2O3 solution, the solution of Al2O3, Cr2O3, Mn2O3 and Fe2O3. Solid

miscibility gaps exist between the constituents. I option required.

Monoxide (halite) (MeO_): solution of CaO-MgO-FeO-MnO-NiO-Fe2O3-Al2O3-Cr2O3 etc. Major

constituents: lime (CaO), periclase (MgO) and wustite (FeO). Use I option especially when CaO and

MgO are present together.

The four character in red

give the name of each

solution phase


Mn/Ti oxides:

i) ilmenite (ILME): (FeTiO3(ilmenite)–Ti2O3–MgTiO3–MnTiO3 + Al2O3),

ii) pseudo-brookite (PSEU): (Ti3O5–FeTi2O5-MgTi2O5–MnTi2O5 ),

iii) Ti-spinel (TiSp): (Mg,Fe,Mn)[Mg,Fe,Mn,Ti,Al]2O4

iv) Rutile (TiO2):TiO2 + Ti2O3-ZrO2 solid solution

Mullite (Mull): non-stoichiometric Al6Si2O13 with possible solubility of B.

(MulF): stoichiometric Al6Si2O13 with dilute Fe6Si2O13.

Melilite (Mel_): Ca2[Mg,Fe2+,Fe3+,Al](Fe3+,Al,Si)2O7. Akermanite Ca2MgSi2O7 and gehlenite

Ca2Al2SiO7 form the melilite solid solution stable below 1590 °C.

Main additional solution phases when T < 1550oC (solidification of slag):

(Including all above phases + additional phases below)

Wollastonite (Woll): (Ca,Mg,Mn)SiO3, which is a CaSiO3-rich phase stable below 1300 °C.

Pseudo-wollastonite is stoichiometric CaSiO3 stable below 1550 °C.

Pyroxene (pPyr, oPyr, cPyr): (Mg,Ca,Fe)[Mg,Fe]Si2O6, which is a MgSiO3-rich phase stable

below 1560 °C. Proto-, ortho-, low-clino-pyroxene exist. Clino-pyroxene is a CaMg2SiO6-rich

phase, which is stable below 1390 °C.

Rhodonite (Rhod): (Mn,Ca)SiO3, a MnSiO3-rich solid stable below 1300 °C.

FToxid database


Main additional solution phases in the CaO-Al2O3-SiO2-FetO system at high PO2

(air)

CAFS Ca2(Al,Fe)8SiO16, CAF6 Ca(Al, Fe)12O19, CAF3 Ca(Al,Fe)6O10, CAF2 Ca(Al,Fe)4O7

CAF1 Ca(Al,Fe)2O4, C2AF Ca2(Al,Fe)2O5, C3AF Ca3(Al,Fe)2O6

Main additional solution phases when T < 1550oC (mould flux, Na2O-containing

systems)

Nepheline (Neph): NaAlSiO4 with excess SiO2.

Carnegeite (Carn): NaAlSiO4 with excess SiO2.

NaAlO2 (NASl): low temperature - NaAlO2 with excess NaAlSiO4

NaAlO2 (NASh): high temperature - NaAlO2 with excess NaAlSiO4

Combeite (NCSO): Na4CaSi3O9 (bombeite) – Na2Ca2Si3O9 solid solution

Feldspar (Feld): complete solution between Anorthite(CaAl2Si2O8)-Albite(NaAlSi3O8)

NCA2: (Na2,Ca)O·Na2O·2Al2O3 solid solution

C3A1: Ca3Al2O6 dissolving Na2O, (Ca,Na2)1Ca8Al6O18 solution

FToxid database


FTmisc (FeLq) and FSstel

FeLq Liquid Fe containing Ag,Al,B,Ba,C,Ca,Ce,Co,Cr,Cu,H,Hf,La,Mg,Mn,Mo,N,Nb,Nd,Ni,O,P,Pb,Pd,S,Si,

Sn,Ta,Th,Ti,U,V,W,Zr. This phase is better suited for calculations involving iron and steelmaking

processes (optimized for iron-rich solutions only).

Based on the Unified Interaction Parameter Formalism (more advanced than classical Wagner

Interaction Parameter Formalism) with associate model for deoxidation. Many interaction

parameters between metallic elements are taken from JSPS (Japanese compilation)

FSstel database FCC/BCC: Fe / Carbide / Nitride are all treated as FCC phases

Fe with N and C : use J option (possible 3-phase immiscibility).

Fe with N or C : use I option (possible 2-phase immiscibility).

Also recommend to use I option for BCC phase See Fe-Ti-Nb-C-N example.

Liquid: O and S are treated by the associate model

FCC ordered phase (FCC_L12), BCC ordered phase (BCC_B2) normally slow down the

calculations significantly. If you are not really interested in order/disorder transitions, do not select

these phases.

Carbon: when C content is lower than ~ 1%, Fe3C (metastable) phase is normally formed instead

of C (stable). So, in the selection of solid phases, “deselect” C solid.


The important chemical systems of non-metallic phases for steelmaking

processes can be summarized as follows. All of these are modeled in the

FactSage databases.

Database availability for general steelmaking processes: Blue: available in FactSage 6.4; Green: available in 7.0; Red: unavailable

1) Molten slag for refining processes

a) CaO-FeO-Fe2O3-SiO2-MgO-MnO-P2O5 system: BOF process

b) CaO-MgO-Al2O3-SiO2-FeO-Fe2O3 system: ladle refining process

c) CaO-MgO-SiO2-CaF2 system: stainless steel refining

d) CaO-CrO-Cr2O3-MgO-SiO2 system: AOD and VOD process for

stainless steel

e) CaO-MgO-SiO2-MnO-CrO-Cr2O3 system: high-Mn stainless steel

2) Mould flux for casting processes

a) CaO-MgO-Al2O3-SiO2-Na2O(-Li2O)-F system: conventional process

b) CaO-MgO-Al2O3-SiO2-Na2O-Li2O-B2O3 system: new candidate.

Steelmaking Chemistry and Availability of Databases


3) Non-metallic inclusions

a) CaO-Al2O3-MgO-CaS: conventional low carbon steels

b) MnO-SiO2-Al2O3-CaO-MnS: wire steels and free cutting steels

c) MnO-SiO2-Ti2O3-TiO2-Al2O3: high strength steels

d) Al2O3-Ti2O3-TiO2: interstitial-free (IF) steels

e) Ti-Nb-C-N: high-strength low-alloy (HSLA) steels containing Ti and Nb

4) Refractories

a) MgO-C: BOF and RH vessel refractories, ladle slag line

b) MgO-Al2O3: ladle castable

c) MgO-Cr2O3-FeO-Fe2O3-Al2O3: VOD and AOD refractories

d) Al2O3-ZrO2-SiO2-C: nozzle refractories and tundish plugs


Most common phase diagrams for

steelmaking applications

CaO-MgO-SiO2-Al2O3-FeO-Fe2O3-MnO

Na2O-CaO-Al2O3-SiO2

MnO-Ti2O3-TiO2


Important phases and phase diagrams

Fe(liquid)+MW+Slag

Schenck and Pfaff[54]

Gokcen[69]

Fischer and Ende[72]

Taylor and Chipman[70]

Shim and Ban-Ya[74]

Fe(liquid)+MW

Fe(bcc) + MW

Fe(fcc) + MW

Fe(liquid)+Slag

Scheel et al.[73]

Fetters and Chipman[71]

molar ratio FeO/(MgO+FeO)

Tem

per

atu

re,

oC

0.0 0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8 0.9 1.0

1000

1200

1400

1600

1800

2000

2200

2400

2600

2800

3000

Slag

Lime

Wustite

Ca2Fe2O5 + WustiteLime + Ca2Fe2O5

Lime+Wustite

Lime + Slag

Zhao et al.[45]

Abbatista[20]

Allen and Snow[17]

Larson[21]

Takeda[22]

Timucin[23]

Ca

2F

e2O

5

1059oC

1125oC

1371oC

0.760.16

0.13

0.67

0.72

mass FeO/(CaO+FeO)

Tem

peratu

re, oC

0 0.2 0.4 0.6 0.8 1

800

1000

1200

1400

1600

1800

Monoxide; halite solution (MeO_)


MnO

Liquid

2 Liquids

SiO2(Crist)

SiO2(Trid)

MnSiO3Mn2SiO4

1842oC

1328oC

1251oC

1347oC

1293oC

1465oC

1702oC

0.59 0.992

0.490.43

0.29

mole fraction MnO

Tem

pera

ture

(oC

)

0.0 0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8 0.9 1.0

1200

1300

1400

1500

1600

1700

1800

1900

Olivine: M2SiO4

MgSiO3-rich: pyroxene

MnSiO3-rich: rhodonite



Liquid

Mullite(Al6Si2O13)

Al2O3

SiO2(Trid)

SiO2(Crist)

1890oC 1890

oC

1465oC

1596oC 0.96

0.334

2054oC

1723oC

mole fraction SiO2

Tem

pera

ture

(oC

)

0.0 0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8 0.9 1.0

1200

1300

1400

1500

1600

1700

1800

1900

2000

2100

2504oC

1769oC

1527oC 0.77

0.55

1842oC

MnO

Mn

Al 2

O4

Al2O3

Jacob[16]

Olsen & Heynert[17]

mole fraction MnO

Tem

pera

ture

(oC

)

0.0 0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8 0.9 1.0

1000

1100

1200

1300

1400

1500

1600

1700

1800

1900

2000

2100

2200

Al 2

O3

Spinel

Alper et al[22]

Viechnicki et al[23]

Saalfeld and Jagodzinski[32]

Viertel and Seifert[30]

Mori[24]

Stubican and Roy[25]

Henriksen and Kingery[27]

Whitney and Stubican[28]

Rankin and Merwin[21]

2122

(1994, 0.79)

2054

2825

0.07

Frenkel et al[26]

Roy et al[31]

Shirasuka and Yamaguchi[29]

Lejus[33]

(1985, 0.36)

(2008, 0.92)

Liquid

Mo

no

xid

e 0.90

MgO mole fraction Al2O3

Tem

pera

ture,

oC

0.0 0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8 0.9 1.0

1000

1200

1400

1600

1800

2000

2200

2400

2600

2800

3000

Slag

MW+Slag

SpinelMW

Slag

Spinel

Spinel + Fe2O3

MW + Spinel

MW + Slag

Roberts and Merwin[66]: phase boundaries

Willshee and White[65]: invariant points

Slag+Solid

Woodhouse and White[39]: monoxide boundary

MW+Spinel

MW

1711

Schurmann and Kolm[68]: Slag

Phillips et al.[67]

molar ratio Fe2O3/(MgO+Fe2O3)

Tem

per

atu

re,

oC

0.0 0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8 0.9 1.0

800

1000

1200

1400

1600

1800

2000

2200

2400

2600

2800

3000Spinel: A2+(B3+)2O4

Mullite





AOlivine

Fe(liq)

Fe(s)

Fe(s2)

ASlag-liq + AOlivine

Fe(s)

ASlag-liq

Mg2SiO4 - Fe2SiO4 - Fe

Fe/(Mg2SiO

4+Fe

2SiO

4) (mol/mol) = 0.001

Fe2SiO4/(Mg2SiO4+Fe2SiO4) (mol/mol)

T(C

)

0 0.2 0.4 0.6 0.8 1

1000

1100

1200

1300

1400

1500

1600

1700

1800

1900

2000

Fe saturation





1422

2374

1542

1349

1985

1333

1309

1597

15221344

1362

1714

1754

16902008

1778

1758

1708

1833CaO

MgO

Al2O3(2572) (2054)

(2825)

Mole fraction

2600

2400

2200

2000

1800

1600

2100

1900

1700

15001400

MgO

Spinel

CaO

Al2O3

CaAl12O19Ca3Al2O6

CaAl2O4

(1604)

CaAl4O7

(1765)

Ca3MgAl4O8

CaMg2Al16O27

Ca2Mg2Al28O46

1766

2122

MgO Al2O3

SiO2SiO2SiO2SiO2SiO2SiO2SiO2SiO2SiO2SiO2SiO2SiO2SiO2

1435

1465

1454

1575

weight percent

1381

1445

1361

1371

1558

1548

16451863

Tw

o-L

iquid

s

SiO2(Crist)

SiO2(Trid)

Cordierite

Sapphirine

2000

1900

1800

2600

2400

2200

2000

1700

1600

1500

1400

2000

1600

1500

MgOSpinel

Al2O3

Mullite

Mg2SiO4

MgSiO3

20081985

(Mg2Al4Si5O18)

(Mg4Al10Si2O23)

(1723)

(2825) (2054)

12391328

1769

Corundum

Galaxite

Mullite

Mn2SiO4

MnSiO3

MnO

SiO2

1293

Al6Si2O13

(1890)(1347)

MnAl2O4

(2054)(1842)

(1723)

1595

1702

1890

1465

Mn2Al4Si5O18

(Mn-Cordierite)

2000

1900

1800

1700

1600

(1180)

MnO

Al2O3

1135

1119

1156

1800

1700

1600

Mn3Al2Si3O12

(Spessartite)(1200)

2 L

iquid

sCristobalite

Tridymite

1500

1400

1300

1200

1527

1251

1249

1144

1180

1157

1138

1143

1166

1194

weight percent

Tephroite

Rhodonite

1200





[41] Osborn and Schairer

Liquid

Liquid + Mel

Mel

[22] Buddington : rxn time not enough

Liquid

Liquid + rare mel

mel + rare L

Geh-Aker (melilite solution)

Liquid

(75, 1390oC)

L+Merw

System Ca2Al2SiO7 - Ca2MgSi2O7

wt% Ca2MgSi2O7/(Ca2Al2SiO7+Ca2MgSi2O7)

T(o

C)

0 10 20 30 40 50 60 70 80 90 100

1200

1300

1400

1500

1600

1700

Melilite solid solution

Spinel solution

‘Coru’ solution



ilmenite Ti-spinel

Pseudo-brookite





CaO

SiO2

Al2O3

Na2O

C2AS CA

CAS2

C2S

CS

NAS2 NAS6

C: CaO

A: Al2O3

N: Na2O

S: SiO2

NA

NA6

NS

Na2O-containing system: Na2O-SiO2-CaO-Al2O3

Weill et al. (1980), compliation

Feldspar

Slag

CaAl2Si2O8 - NaAlSi3O8

mole NaAlSi3O8/(CaAl2Si2O8+NaAlSi3O8)

T(C

)

0 0.2 0.4 0.6 0.8 1

1000

1400

1800

* Most recently updated version: ‘CON1’ database


ASlag-liq

ASlag-liq + NaAlO2(s2)

NaAlO2(s2) + Na2Al12O19(s)

Na2O(s) + NaAlO2(s2)

Na2O(s2) + NaAlO2(s2)

Na2O(s3) + NaAlO2(s2)

NaAlO2(s2) + NaAl9O14(s)

ASlag-liq + NaAl9O14(s)

NaA

l 9O

14(s

) +

Al 2O

3(s

4)

Na2O - Al2O3

Al2O3/(Na2O+Al2O3) (mol/mol)

T(C

)

0 .2 .4 .6 .8 1

500

700

900

1100

1300

1500

1700

1900

2100

2300

2500

Rys (2008): DTA-TG, heating

Rys (2008): DTA-TG, cooling

Na

10S

iO7

Na

4S

iO4

Na

2S

iO3

Na

6S

i 2O

7

Na

2S

i 2O

5

Na

6S

i 8O

19

Na2O mole fraction SiO2

Tem

pera

ture (

K)

0.0 0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8 0.9 1.0

700

900

1100

1300

1500

1700

1900

2100

Important phases and phase diagrams: Na2O-Al2O3-SiO2 system


Important phases and phase diagrams: Na2O-Al2O3-SiO2 system

NASh

Carg

Neph

NASl


Moir and Glasser (1974)(1:2:3)

(1:2:3) + (2:1:3)

(1:2:3) + bCS

L + (1:2:3)

(2:1:3)

L + (2:1:3)

(2:1:3) + NS

aCS

aCS + (1:2:3)

aCS + bCS + (1:2:3)

L + aCS

bCS + (1:2:3)

aCS + bCS

L

L + NS

(1:2:3)' - maybe (1:1:2)

(1:2:3)' + NS

(1:2:3) + (2:1:3) + NS

Slag

1:2:3

1:2:3 + Na2SiO3(s)

Na2SiO3(s) + Na4CaSi3O9(s)

1:2:3 + CaSiO3(s)

1:2:3 + CaSiO3(s2)

Slag + CaSiO3(s2)

CaSiO3 - Na2SiO3

mole CaSiO3/(CaSiO3+Na2SiO3)

T(C

)

0 0.2 0.4 0.6 0.8 1

0

300

600

900

1200

1500

1800

0.2

0.4

0.6

0.8

0.20.40.60.8

0.2

0.4

0.6

0.8

SiO2

Na2O CaOWeight %

(a:b:c) = aNa2O.bCaO.cSiO2

(2:0:1)

(3:0:2)

(1:0:1)

(1:0:2)

(0:1:1)

(0:2:1)

(0:3:2)

(0:4:1)

(5:0:1)

(1:1:5)

(1:3:6)

(2:1:3) (1:2:3)

(2:1:3)

(1:0:1)

(0:1:1)

(0:0:1) - Tr.

(0:0:1) - Cr.

(0:3:2)

Morey and Bowen (1925)

(1:2:3)

(1:3:6)

(1:0:2)

(0:0:1) - Qz.

(4:3:5)

(1:1:1)

(1:2:2)

Segnit (1953)

(1:1:1)

(2:1:3)

(1:2:3)

(1:2:2)

(4:3:5)

(1:0:1)

(0:2:1)

(0:1:1)

(3:0:8)

Shahid and Glasser (1971)

(1:1:5)

(1:0:2)

(1:2:3)

(1:3:6)

(3:0:8)

(0:0:1) - Qz.

(0:0:1) - Tr.

1200 o C11

00

o C

1000

o C 1300

oC 1400

oC 1500

oC

1100

o C

SiO2 - CaO - Na2O

Important phases and phase diagrams: Na2O-CaO-SiO2 system

0.1

0.2

0.3

0.4

0.5

0.6

0.7

0.8

0.9

0.10.20.30.40.50.60.70.80.9

0.1

0.2

0.3

0.4

0.5

0.6

0.7

0.8

0.9

SiO2

Na2O CaOmole fraction

(a:b:c) = aNa2O.bCaO.cSiO2

(2:0:1)

(3:0:2)

(1:0:1)

(1:0:2)

(0:1:1)

(0:2:1)

(0:3:2)

(0:4:1)

(5:0:1)

(1:1:5)

(1:3:6)

(2:1:3) (1:2:3)

(1:2:2)

(1:1:1)

(4:3:5)

(3:0:8)

CaO-Na2O-SiO2

FactSage

?

NCSO: 1:2:3 solid solution


0.1

0.2

0.3

0.4

0.5

0.6

0.7

0.8

0.9

0.10.20.30.40.50.60.70.80.90.1

0.2

0.3

0.4

0.5

0.6

0.7

0.8

0.9

Na2O

CaO Al2O3mole fraction

(a:b:c) = aNa2O.bCaO.cAl2O3

(0:1:1) (0:1:2) (0:1:6)

(1:8:3) (1:0:9)

(1:0:6)

(0:3:1)

(1:0:1)

CaO(s)

NaAlO2(s2)

1:1:2 NaAl9O14(s)

Al2O3(s4)CaAl2O4(s)CaAl4O7(s)

Na2O - Al2O3 - CaO

Projection (Slag)

FactSage

0.1

0.2

0.3

0.4

0.5

0.6

0.7

0.8

0.9

0.10.20.30.40.50.60.70.80.9

0.1

0.2

0.3

0.4

0.5

0.6

0.7

0.8

0.9

mole fraction

Slag

Na2O

CaO Al2O3mole fraction

N(a)C(b)A(c) = aNa2O.bCaO.cAl2O3

CA CA2 CA6

NC8A3 NA9NA6

C3A

NCA2s.s

NC3A8

NA

Verweij and Saris (1986), maximum solubility

Na2O - Al2O3 - CaO

1200oC

FactSage

Important phases and phase diagrams: Na2O-Al2O3-CaO system

NCA2: (Na2,Ca)O·Na2O·2Al2O3 solid solution


0.1

0.2

0.3

0.4

0.5

0.6

0.7

0.8

0.9

0.10.20.30.40.50.60.70.80.9

0.1

0.2

0.3

0.4

0.5

0.6

0.7

0.8

0.9

MELCgNe

PW

Juan (1950)Ca2Al2SiO7

CaSiO3 NaAlSiO4mass fraction

Ca2Al2SiO7


T(min) = 1162.95 oC, T(max) = 1594.98

oC

Melilite

CaSiO3(s2)

Ca3Si2O7(s)

Nepheline

Carnegieite

10/25/2008

D:\Work\CRCT\2007_MoldFlux_POSCO\Na2O-CaO-SiO2-Al2O3\quaternary_parameter\PD_CaSiO3-Ca2Al2SiO7-NaAlSiO4.emfCaO

SiO2

Al2O3

Na2O

Important phases and phase diagrams: Na2O-Al2O3-SiO2-CaO system


0.1

0.2

0.3

0.4

0.5

0.6

0.7

0.8

0.9

0.10.20.30.40.50.60.70.80.9

0.1

0.2

0.3

0.4

0.5

0.6

0.7

0.8

0.9

CA2S2CgNeC3APWC2AS2b-A

Gummer (1943)CaAl2Si2O8


CaAl2Si2O8


T(min) = 1163.86 oC, T(max) = 1555

oC

Feldspar

CaSiO3(s2)

Melilite

Carnegieite

10/25/2008

D:\Work\CRCT\2007_MoldFlux_POSCO\Na2O-CaO-SiO2-Al2O3\quaternary_parameter\PD_CaSiO3-CaAl2Si2O8-NaAlSiO4.emfCaO

Al2O3

Na2O

SiO2

15

00



0.1

0.2

0.3

0.4

0.5

0.6

0.7

0.8

0.9

0.10.20.30.40.50.60.70.80.9

0.1

0.2

0.3

0.4

0.5

0.6

0.7

0.8

0.9

1:2:32:1:3CgNePWNSW

Spivak (#1342)NaAlSiO4

CaSiO3 Na2SiO3mass fraction

NaAlSiO4


NaAlSiO4


NaAlSiO4


T(min) = 919.18 oC, T(max) = 1540.17

oC

Carnegieite

Nepheline

1:2:3

CaSiO3(s2)

2:1:3

Na2SiO3(s)

10/25/2008

D:\Work\CRCT\2007_MoldFlux_POSCO\Na2O-CaO-SiO2-Al2O3\quaternary_parameter\PD_NaAlSiO4-CaSiO3-Na2SiO3.emf

CaO

Al2O3

Na2O

SiO2



0.1

0.2

0.3

0.4

0.5

0.6

0.7

0.8

0.9

0.10.20.30.40.50.60.70.80.9

0.1

0.2

0.3

0.4

0.5

0.6

0.7

0.8

0.9

SiO2

Na2O CaOmass fractions /(SiO2+CaO+Na2O)

T(min) = 812.79 oC, T(max) = 2394.5

oC

CaO(s)

1:1:2 Ca2SiO4(s3)

Ca2SiO4(s2)Melilite

Ca3Si2O7(s)

1:2:3CaSiO3(s2)

Nepheline

Feldspar

Al6Si2O13(s)

Na2Ca3Si6O16(s)

Feldspar

NaAlO2-NaAlSiO41

NaAlO2-NaAlSiO4

NaAlO2-NaAlSiO41

SiO2 - CaO - Na2O - Al2O3

15wt% Al2O

3 section

SiO2

CaO

Al2O3

Na2O

1400

1300

1200

1100



Modified Quasichemical Model

Bond fraction (Silicate network structure)

Activation energy of bond breaking reaction: Binary

parameters + Association energy for M+Al3+ replacing Si4+ in

silicate network

Prediction of multicomponent systems (oxide and oxy-

fluoride)

Heterogeneous (solid + liquid): Einstein-Rosco equation

Database for molten slag

CaO-MgO-SiO2-Al2O3-FeO-Fe2O3-MnO-TiO-TiO2-Na2O-K2O-

B2O3-F (-PbO-NiO)

Database for glass (supercooled melt)

CaO-MgO-SiO2-Al2O3-Na2O-K2O-B2O3-PbO-…

Slag Viscosity: Structural Viscosity Model


The Na2O-Al2O3-SiO2 system

1200 1400 1600°C

below liquidus

Toplis et al. 1997mole fraction SiO2 = 0.5

Riebling, 1966

1600°C

1400°C

1200°C

molar ratio Al2O3 / (Al2O3+Na2O)

ln(v

isc)

[PaS

]

0 0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8 0.9 1

-5

0

5

10

15

20

0.1

0.2

0.3

0.4

0.5

0.6

0.7

0.8

0.9

0.10.20.30.40.50.60.70.80.9

0.1

0.2

0.3

0.4

0.5

0.6

0.7

0.8

0.9

SiO2

Na2O Al2O3mole fraction

T = 1400°C

10

0-1-2-3

2

3

4

5

6

7

1

Riebling, 1966

Toplis et al., 1997

Fig. 16

Fig. 17

Fig. 18

Fig. 19

Fig. 20


The Na2O-Al2O3-SiO2 system

1200 1400 1600°C

below liquidus

Toplis et al. 1997

Stein and Spera, 1993

mole fraction SiO2 = 0.67

Riebling, 1966

Kim and Lee, 1997

1200°C1400°C

1600°C

molar ratio Al2O3 / (Al2O3+Na2O)

ln(v

isc)

[PaS

]

0 0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8 0.9 1

0

5

10

15

20

25

0.1

0.2

0.3

0.4

0.5

0.6

0.7

0.8

0.9

0.10.20.30.40.50.60.70.80.9

0.1

0.2

0.3

0.4

0.5

0.6

0.7

0.8

0.9

SiO2

Na2O Al2O3mole fraction

T = 1400°C

10

0-1-2-3

2

3

4

5

6

7

1

Riebling, 1966

Toplis et al., 1997

Fig. 16

Fig. 17

Fig. 18

Fig. 19

Fig. 20


Viscosity of CaO-Al2O3-SiO2-R2O (R=K, Na, Li)

0.0 0.1 0.2 0.3-5

-4

-3

-2

-1

0

1

2006, Sukenaga et al.

Addition of K2O Na

2O Li

2O Initial Composition (wt.%)

32CaO-48SiO2-20Al

2O

3

40CaO-40SiO2-20Al

2O

3

44CaO-36SiO2-20Al

2O

3

Addition of K2O

Addition of Na2O

Addition of Li2O

ln

(P

a·s)

Mole fraction of alkali oxide R2O

T = 1600 oC


Viscosities of various systems

-6 -4 -2 0 2 4 6 8 10 12-6

-4

-2

0

2

4

6

8

10

12

Al2O

3-SiO

2

CaO-Al2O

3

CaO-SiO2

MgO-SiO2

K2O-SiO

2

Na2O-SiO

2

ln[P

a·s],

Exp

eri

me

nta

l

ln[Pa·s], Calculated

-6 -4 -2 0 2 4 6 8 10 12 14 16 18-6

-4

-2

0

2

4

6

8

10

12

14

16

18

ln[P

a·s],

Exp

eri

me

nta

l


CaO-MgO-SiO2

CaO-Na2O-SiO

2

Na2O-Al

2O

3-SiO

2

CaO-Al2O

3-SiO

2

MgO-Al2O

3-SiO

2

-4 -3 -2 -1 0 1 2 3 4 5 6 7 8-4

-3

-2

-1

0

1

2

3

4

5

6

7

8

ln[P

a·s],

Expe

rim

en

tal


CaO-Al2O

3-MgO-SiO

2

CaO-Al2O

3-Na

2O-MgO-SiO

2

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