-2 factsage and phase diagrams 2 tm  · 2017-03-10 · factsage and phase diagrams c(s) isoactivity...

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FactSage and Phase Diagrams www.factsage.com C(s) isoactivity lines in Fe-Cr-C at X Cr = 0.2 SGTE 2014 database First-melting liquidus projection in Zn-Mg-Al FTlite database Equilibrium and Scheil-Gulliver crystallization paths in Au-B-Sb Liquidus projection in the CaO-Al 2 O 3 -Ca 3 N 2 -AlN reciprocal oxynitride system FTOxCN database Aqueous phase diagram showing Cu-Fe alloy in HCl-H 2 -H 2 O at 25 o C where m Cu = 0.01 and m Fe = 0.01 Polythermal liquidus projection in Al 2 O 3 -CaO-SiO 2 ternary system FToxid database Isothermal section of C-Cr-V at 1000 K SGTE 2014 database Liquidus projection of Al 2 O 3 -CaO-CaS FToxid database 0 40 60 80 100 0 2 4 6 8 10 CaO Ca 3 Al 2 O 6 Al 2 O 3 1400 1500 1600 1700 25 0 0 2 4 0 0 2 3 00 2 2 0 0 2 1 0 0 2 0 0 0 1 9 0 0 CaS CaAl 2 O 4 CaAl 4 O 7 1700 1576 1505 1354 1800 CaAl 12 O 19 Weight % CaO Weight % CaS CaS(s) CaO-Al 2 O 3 -CaS Isothermal section of U-Ba-O FTnucl database 0.6 0.7 0.1 0.2 0.3 0.4 0.3 0.4 O U Ba mole fraction U mole fraction O mole fraction Ba Liquid FCC_C1 + Liquid + Liquid#2 gas_ideal + A2BCX6 + Liquid gas_ideal + A2BCX6 + BaUO 4 (s) gas_ideal + Liquid + BaO(s) FCC_C1 + Liquid A2BCX6 + Liquid FCC_C1 + A2BCX6 + Liquid gas + Liq. + FCC_C1 P(O 2 ) = 8.56x10 -17 bar P(O 2 ) = 3.38x10 -16 bar P(O 2 ) = 0.93 bar Liq. + FCC_C1 + BaU 2 O 6 P(O 2 ) = 0.238 bar FCC_C1 Perovskite FCC_C1 + BaU 2 U 6 + Ba 2 U 2 O 7 Liquid Liq. + BaU 2 O 6 + Ba 2 U 2 O 7 BaU 2 O 6 Ba 2 U 2 O 7 BaUO 4 Ba 2 U 3 O 11 BaUO 3 Ba 3 UO 6 P(O 2 ) = 1.93x10 -2 bar P(O 2 ) = 7.79x10 -4 bar FCC_C1 + Ba 2 U 2 O 7 + Perovskite FTnucl F F F FTnucl FACT nuclear database Th-U-Np-Am-Pu + O-C-N + Fe-Ba-Zr-Ru + Li-Na-K-Rb-Cs + He-Ne-Ar-Xe-Kr Isothermal section of B-Cr-Ta at 1673 K SpMCBN database www.factsage.com 2017 SGTE 2014 alloy database - 78 elements Ag, Al, Am, As, Au, B, Ba, Be, Bi, C, Ca, Cd, Ce, Co, Cr, Cs, Cu, Dy, Er, Eu, Fe, Ga, Gd, Ge, Hf, Hg, Ho, In, Ir, K, La, Li, Lu, Mg, Mn, Mo, N, Na, Nb, Nd, Ni, Np, O, Os, P, Pa, Pb, Pd, Pr, Pt, Pu, Rb, Re, Rh, Ru, S, Sb, Sc, Se, Si, Sm, Sn, Sr, Ta, Tb, Tc, Te, Th, Ti, Tl, Tm, U, V, W, Y, Yb, Zn, Zr Liquidus projection of Al 2 O 3 -CaO-SiO 2 FToxid database FToxid FACT oxide database Al 2 O 3 , CaO, FeO, Fe 2 O 3 , MgO, SiO 2 with As 2 O 3 , B 2 O 3 , BaO, CoO, CrO, Cr 2 O 3 , Cu 2 O, GeO 2 , K 2 O, Na 2 O, MnO, Mn 2 O 3 , NiO, P 2 O 5 , PbO, SnO, TiO 2 , Ti 2 O 3 , ZnO, ZrO 2 and Al 2 O 3 -Re 2 O 3 where Re = La, Ce, Pr, Nd, Pm, Sm, Eu, Gd, Tb, Dy, Ho, Er, Tm, Yb, Lu and dilute S, SO 4 , H 2 O/OH, CO 3 , F, Cl, I. The FactSage thermochemical software and databases computer package consists of a series of information, calculation and manipulation modules that enable one to access and manipulate compound and solution databases. F actSage TM SpMCBN refractory metal alloys database Boride, Carbide, Nitride and Silicide Systems B, C, N, Si with Al, Ca, Co, Cr, Fe, Hf, Mg, Mn, Mo, Nb, Ni, Re, Sc, Ta, Tc, Ti, V, W, Y, Zr FTOxCN FACT oxycarbonitride database contains data for performing equilibrium calculations in the Al-(Si-Ca-Mg-Fe-Na)-C-O-N-S system at very high temperatures Scheil-Gulliver Constituent Diagram of Al-Li FTlite database Isothermal section of Al-Mg-Zn at 335 o C FTlite database FTlite FACT lite metal database Al Alloys - Ag, Al, As, Au, B, Ba, Be, Bi, C, Ca, Ce, Co, Cr, Cu, Dy, Er, Eu, Fe, Ga, Gd, Ge, H, Hf, Hg, Ho, In, K, La, Li, Lu, Mg, Mn, N, Na, Nb, Nd, Ni, O, P, Pb, Pr, S, Sb, Sc, Si, Sm, Sn, Sr, Ta, Tb, Ti, Tm, V, W, Y, Yb, Zn, Zr Mg Alloys - Ag, Al, B, Ba, Be, Bi, C, Ca, Ce, Cr, Cu, Dy, Er, Eu, Fe, Gd, Ge, H, Ho, In, K, La, Li, Lu, Mg, Mn, Na, Nd, Ni, Pb, Pr, Sb, Sc, Si, Sm, Sn, Sr, Tb, Ti, Tm, V, Y, Yb, Zn, Zr . Here are a variety of calculated phase diagrams using data from various databases. Other databases not shown here include: FTfrtz fertilizer, FThall aluminum process, FThelg aqueous Helgeson, FTmisc miscellaneous, FTpulp pulp and paper, FTsalt salt, FScopp copper, FSlead lead, FSstel steel alloy, FSupsi ultra pure silicon, SGnobl noble metal alloy, SGsold solder, etc. databases.

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Page 1: -2 FactSage and Phase Diagrams 2 TM  · 2017-03-10 · FactSage and Phase Diagrams C(s) isoactivity lines in Fe-Cr-C at X Cr = 0.2 –SGTE 2014 database Equilibrium and Scheil-Gulliver

FactSage and Phase Diagrams www.factsage.com

C(s) isoactivity lines in Fe-Cr-C at XCr = 0.2 – SGTE 2014 database

First-melting liquidus projection in Zn-Mg-Al – FTlite databaseEquilibrium and Scheil-Gulliver crystallization paths in Au-B-Sb

Liquidus projection in the CaO-Al2O3-Ca3N2-AlNreciprocal oxynitride system – FTOxCN database

Aqueous phase diagram showing Cu-Fe alloy in HCl-H2-H2O at 25oC where mCu = 0.01 and mFe = 0.01

Polythermal liquidus projection in Al2O3-CaO-SiO2 ternary

system – FToxid database

Isothermal section of C-Cr-V at 1000 K – SGTE 2014 database

Liquidus projection of Al2O3-CaO-CaS – FToxid database

0 40 60 80 100 0

2

4

6

8

10

CaO

Ca3Al2O6

Al2O3

1400

1500

1600

1700

2500

2400

2300

2200

2100

200

0

1900

CaS

CaAl2O4 CaAl4O7

1700

1576

1505

1354

1800

CaAl12O19

Weight % CaO

Wei

gh

t %

CaS

CaS(s)

CaO-Al2O3-CaS

Isothermal section of U-Ba-O – FTnucl database

0.6

0.7

0.10.20.30.4

0.3

0.4

O

U Bamole fraction U

mol

e fract

ion O

mole fra

ction B

a

Liquid

FCC_C1 + Liquid + Liquid#2

gas_ideal + A2BCX6 + Liquid

gas_ideal + A2BCX6 + BaUO4(s)

gas_ideal + Liquid + BaO(s)

FCC_C1 + Liquid

A2BCX6 + Liquid

FCC_C1 + A2BCX6 + Liquid

gas + Liq. + FCC_C1

P(O2) = 8.56x10-17

bar

P(O2) = 3.38x10-16

bar

P(O2) = 0.93 bar

Liq. + FCC_C1 + BaU2O6

P(O2) = 0.238 bar

FC

C_C

1

Perovskite

FCC_C1 + BaU2U6 + Ba2U2O7

Liquid

Liq. + BaU2O6 + Ba2U2O7

BaU2O6

Ba2U2O7

BaUO4

Ba2U3O11

BaUO3

Ba3UO6

P(O2) = 1.93x10-2

bar

P(O2) = 7.79x10-4

bar

FCC_C1 + Ba2U2O7 + Perovskite

Ba - U - O

2273.15 K, 1 barFTnucl

F

F

F

FTnucl – FACT nuclear database

Th-U-Np-Am-Pu + O-C-N + Fe-Ba-Zr-Ru

+ Li-Na-K-Rb-Cs + He-Ne-Ar-Xe-Kr

Isothermal section of B-Cr-Ta at 1673 K – SpMCBN database

www.factsage.com 2017

SGTE 2014 alloy database - 78 elements

Ag, Al, Am, As, Au, B, Ba, Be, Bi, C, Ca, Cd, Ce, Co, Cr, Cs, Cu, Dy, Er, Eu, Fe, Ga, Gd, Ge, Hf, Hg, Ho, In, Ir, K, La, Li, Lu, Mg, Mn, Mo, N, Na, Nb, Nd, Ni, Np, O, Os, P, Pa, Pb, Pd, Pr, Pt, Pu, Rb, Re, Rh, Ru, S, Sb, Sc, Se, Si, Sm, Sn, Sr, Ta, Tb, Tc, Te, Th, Ti, Tl, Tm, U, V, W, Y, Yb, Zn, Zr

Liquidus projection of Al2O3-CaO-SiO2 – FToxid database

FToxid – FACT oxide database

Al2O3, CaO, FeO, Fe2O3, MgO, SiO2 with As2O3, B2O3, BaO, CoO, CrO, Cr2O3,

Cu2O, GeO2, K2O, Na2O, MnO, Mn2O3, NiO, P2O5, PbO, SnO, TiO2, Ti2O3, ZnO,

ZrO2 and Al2O3-Re2O3 where Re = La, Ce, Pr, Nd, Pm, Sm, Eu, Gd, Tb, Dy, Ho,

Er, Tm, Yb, Lu and dilute S, SO4, H2O/OH, CO3, F, Cl, I.

The FactSage thermochemical software and databases

computer package consists of a series of information,

calculation and manipulation modules that enable one to

access and manipulate compound and solution databases.

FactSageTM

SpMCBN refractory metal alloys database

Boride, Carbide, Nitride and Silicide Systems

– B, C, N, Si with Al, Ca, Co, Cr,

Fe, Hf, Mg, Mn, Mo, Nb, Ni, Re,

Sc, Ta, Tc, Ti, V, W, Y, Zr

FTOxCN – FACT oxycarbonitride database

contains data for performing equilibrium calculations in the

Al-(Si-Ca-Mg-Fe-Na)-C-O-N-S system at very high temperatures

Scheil-Gulliver Constituent Diagram of Al-Li – FTlite database

Isothermal section of Al-Mg-Zn at 335oC – FTlite database

FTlite – FACT lite metal databaseAl Alloys - Ag, Al, As, Au, B, Ba, Be, Bi, C, Ca, Ce, Co, Cr, Cu, Dy, Er, Eu, Fe, Ga, Gd, Ge, H, Hf, Hg, Ho, In, K, La, Li, Lu, Mg, Mn, N, Na, Nb, Nd, Ni, O, P, Pb, Pr, S, Sb, Sc, Si, Sm, Sn, Sr, Ta, Tb, Ti, Tm, V, W, Y, Yb, Zn, Zr

Mg Alloys - Ag, Al, B, Ba, Be, Bi, C, Ca, Ce, Cr, Cu, Dy, Er, Eu, Fe, Gd, Ge, H, Ho, In, K, La, Li, Lu, Mg, Mn, Na, Nd, Ni, Pb, Pr, Sb, Sc, Si, Sm, Sn, Sr, Tb, Ti, Tm, V, Y, Yb, Zn, Zr .

Here are a variety of

calculated phase

diagrams using data

from various databases.

Other databases not shown here include: FTfrtz fertilizer, FThall aluminum

process, FThelg aqueous Helgeson, FTmisc miscellaneous, FTpulp pulp and

paper, FTsalt salt, FScopp copper, FSlead lead, FSstel steel alloy, FSupsi

ultra pure silicon, SGnobl noble metal alloy, SGsold solder, etc. databases.