TY - JOUR
T1 - Thermodynamic modeling of the binary barium-oxygen system
AU - Zhou, Shihuai
AU - Arroyave, Raymundo
AU - Randall, Clive A.
AU - Liu, Zi-kui
PY - 2005/7
Y1 - 2005/7
N2 - The phase equilibria and thermodynamic properties of the binary Ba - O system were analyzed. The Gibbs energy functions of individual phases were modeled, and the model parameters were obtained by means of the CALculation of PHAse Diagram (CALPHAD) technique, based on available experimental data in the literature. The liquid phase was described with a two-sublattice ionic model. For the non-stoichiometric BaO and BaO 2 phases, a two-sublattice ionic model was applied, and two sets of Gibbs energy functions were obtained by treating them either as separate phases or as a common solution phase with a miscibility gap. The ionic sublattice models used in the present work provide an approach to better describe the physical behavior of the Ba - O binary system such as defect chemistry and doping effects, which will be studied in multicomponent systems.
AB - The phase equilibria and thermodynamic properties of the binary Ba - O system were analyzed. The Gibbs energy functions of individual phases were modeled, and the model parameters were obtained by means of the CALculation of PHAse Diagram (CALPHAD) technique, based on available experimental data in the literature. The liquid phase was described with a two-sublattice ionic model. For the non-stoichiometric BaO and BaO 2 phases, a two-sublattice ionic model was applied, and two sets of Gibbs energy functions were obtained by treating them either as separate phases or as a common solution phase with a miscibility gap. The ionic sublattice models used in the present work provide an approach to better describe the physical behavior of the Ba - O binary system such as defect chemistry and doping effects, which will be studied in multicomponent systems.
UR - http://www.scopus.com/inward/record.url?scp=27644484366&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=27644484366&partnerID=8YFLogxK
U2 - 10.1111/j.1551-2916.2005.00368.x
DO - 10.1111/j.1551-2916.2005.00368.x
M3 - Article
AN - SCOPUS:27644484366
SN - 0002-7820
VL - 88
SP - 1943
EP - 1948
JO - Journal of the American Ceramic Society
JF - Journal of the American Ceramic Society
IS - 7
ER -