A Structural Molar Volume Model for Oxide Melts Part I: Li sub(2)O-Na sub(2)O-K sub(2)O-MgO-CaO-MnO-PbO-Al sub(2)O sub(3)-SiO sub(2) Melts-Binary Systems

• Published in: Metallurgical and materials transactions. B, Process metallurgy and materials processing science Vol. 47; no. 2; pp. 1147 - 1164
• Main Authors: Thibodeau, Eric, Gheribi, Aimen E, Jung, In-Ho
• Format: Journal Article
• Language: English
• Published: 01.04.2016
• Subjects: Mathematical models; Melts; Molar volume; Nonlinearity; Oxides; Process metallurgy; Silicates
• ISSN: 1073-5615; 1543-1916
• DOI: 10.1007/s11663-015-0548-y

A structural molar volume model was developed to accurately reproduce the molar volume of molten oxides. As the non-linearity of molar volume is related to the change in structure of molten oxides, the silicate tetrahedral Q-species, calculated from the modified quasichemical model with an optimized thermodynamic database, were used as basic structural units in the present model. Experimental molar volume data for unary and binary melts in the Li sub(2)O-Na sub(2)O-K sub(2)O-MgO-CaO-MnO-PbO-Al sub(2)O sub(3)-SiO sub(2) system were critically evaluated. The molar volumes of unary oxide components and binary Q-species, which are model parameters of the present structural model, were determined to accurately reproduce the experimental data across the entire binary composition in a wide range of temperatures. The non-linear behavior of molar volume and thermal expansivity of binary melt depending on SiO sub(2) content are well reproduced by the present model.