Thermodynamic modeling of oxide phases in the Fe–Mn–O system. (November 2016)

• Record Type: Journal Article
• Authors: Kang, Youn-Bae; Jung, In-Ho
• Is Part Of: Journal of physics and chemistry of solids. Volume 98(2016:Nov.)
• Page Start: 237
• Page End: 246
• Publication Date: 2016-11
• Subjects: Fe–Mn–O system -- Spinel -- Valences -- Thermodynamic optimization; Solids -- Periodicals; Solides -- Périodiques; Solids; Periodicals; 530.41
• DOI: 10.1016/j.jpcs.2016.07.017
• Languages: English
• ISSNs: 0022-3697

Abstract

Abstract: A critical evaluation and thermodynamic modeling for thermodynamic properties of all oxide phases and phase diagrams in the Fe–Mn–O system are presented. Optimized Gibbs energy parameters for the thermodynamic models of the oxide phases were obtained which reproduce all available and reliable experimental data within error limits from 298 K to above the liquidus temperatures at all compositions covering from known oxide phases, and oxygen partial pressure from metal saturation to 0.21 bar. The optimized thermodynamic properties and phase diagrams are believed to be the best estimates presently available. Two spinel phases (cubic and tetragonal) were modeled using Compound Energy Formalism (CEF) with the use of physically meaningful parameters. The present Fe–Mn spinel solutions can be integrated into a larger spinel solution database, which has been already developed. The database of the model parameters can be used along with a software for Gibbs energy minimization in order to calculate any type of phase diagram section and thermodynamic properties. Abstract : Highlights: A critical evaluation of available experimental data of oxide phases in the Fe–Mn–O system is presented. A new CALPHAD type thermodynamic modeling of the oxide phases in the Fe–Mn–O system is presented. Various cation valences of Fe and Mn in cubic/tetragonal spinel solid solution were taken into account. All the developed thermodynamic model can be used to develop a multicomponent thermodynamic database containing Fe and Mn as cations.