Critical Evaluation of Alumino-silicate Systems

Thermodynamic knowledge of alumino-silicate systems
is useful in steel and ceramic industries and for
understanding geochemical processes. In this work
the CALPHAD approach is applied to the thermodynamic
modelling and assessments of the CaO-Al2O3-SiO2, MgO-
Al2O3-SiO2 and Y2O3-Al2O3-SiO2 systems and their
subsystems. The compound energy formalism is used
for all the solution phases including mullite, YAM,
spinel and halite. In particular, the ionic two sub-
lattice model is applied to the liquid phase. Based
on recent experimental investigations and
theoretical studies a new species AlO2-1 is
introduced to model liquid Al2O3. Thus, the liquid
model corresponding for a ternary Al2O3-SiO2-M2Om
system has the formula (Al+3,M+m)P (AlO2-1,O-2, SiO4-
4,SiO20)Q, where M+m stands for Ca+2, Mg+2 or Y+3.
This model overcomes the long-existing difficulty of
suppressing the liquid miscibility gap in the
ternary systems originating from the Al2O3-free side
during the assessments. All the available phase
diagram and thermochemical data are critically
evaluated and finally a self-consistent
thermodynamic dataset is achieved.

Autorentext
Researcher, since 2005, Dept Mat Sci & Engn, Royal Inst Technol (KTH), Sweden. PhD, 2005, Dept Mat Sci & Engn, KTH, Sweden. Researcher, 1998-1999, Geocenter, Uppsala Univ, Sweden. PhD, 1997, Inst Geochem, Chinese Acad Sci, China. MSc, 1995, Inst Geochem, Chinese Acad Sci, China. BSc, 1992, Dept Earth Sci, Zhejiang Univ, China.

Klappentext
Thermodynamic knowledge of alumino-silicate systems is useful in steel and ceramic industries and for understanding geochemical processes. In this work the CALPHAD approach is applied to the thermodynamic modelling and assessments of the CaO-Al2O3-SiO2, MgO- Al2O3-SiO2 and Y2O3-Al2O3-SiO2 systems and their subsystems. The compound energy formalism is used for all the solution phases including mullite, YAM, spinel and halite. In particular, the ionic two sub- lattice model is applied to the liquid phase. Based on recent experimental investigations and theoretical studies a new species AlO2-1 is introduced to model liquid Al2O3. Thus, the liquid model corresponding for a ternary Al2O3-SiO2-M2Om system has the formula (Al+3,M+m)P (AlO2-1,O-2, SiO4- 4,SiO20)Q, where M+m stands for Ca+2, Mg+2 or Y+3. This model overcomes the long-existing difficulty of suppressing the liquid miscibility gap in the ternary systems originating from the Al2O3-free side during the assessments. All the available phase diagram and thermochemical data are critically evaluated and finally a self-consistent thermodynamic dataset is achieved.