-2 FactSage and Phase Diagrams 2 TM · 2017-03-10 · FactSage and Phase Diagrams C(s) isoactivity...
Transcript of -2 FactSage and Phase Diagrams 2 TM · 2017-03-10 · FactSage and Phase Diagrams C(s) isoactivity...
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.