Thermodynamic Data, Models, and Phase Diagrams in Multicomponent Oxide Systems

Abstract

This book represents information obtained from authentic and highly regarded sources. Reprinted material is quoted with permission, and sources are indicated A wide variety of references are listed Every reasonable effort has been made to give reliable data and information, but the authors and the publisher cannot assume responsibility for the validity of all materials or for the consequences of their use.

Placing constraints on phase equilibria and thermophysical properties in the system MgO–SiO2 by a thermodynamically consistent vibrational method

“…The 10 kJ/mol differences in the enthalpy for perovskite, akimotoite and the assemblage b-Mg 2 SiO 4 + stishovite propagate in the transition enthalpies which are italicised in Table 6 because the enthalpy of formation for ortho-enstatite is consistent with the calorimetrically established values by Ito et al (1990). Table 6 indicates that a similar explanation is applicable for the differences between experimental data and results calculated by Fabrichnaya et al (2004).…”

“…Enthalpy is expressed in kJ mol À1 and entropy in J K À1 mol À1 . Fabrichnaya et al (2004). c Akaogi et al (1989) at T = 975 K. d Ito et al (1990) at T = 298 K. e Akaogi and Ito (1993b) at T = 298 K.…”

“…The main differences between these phase diagrams are the position and slope of the akimotoite-perovskite phase boundary and the extension of the ringwoodite + stishovite phase field. Saxena (1996) and Fabrichnaya et al (2004) performed thermodynamic analyses producing phase diagrams, which are in between those of Yusa et al (1993) and Gasparik (2003). We performed a new analysis using vibrational modelling for several reasons.…”

Experimental study and thermodynamic calculations of phase relations in the Fe–C system at high pressure

“…There are several commonly used equations of state for modeling the volume as a function of pressure and temperature, which include the Murnaghan EOS (e.g., Fabrichnaya et al, 2004;Holland and Powell, 1998), Birch-Murnaghan EOS with temperature-dependent parameters (Saxena et al, 1993), and Tait EOS (Holland and Powell, 2011). However, these models often lead to inconsistencies in the predictions for the thermophysical properties at high pressure (Hammerschmidt et al, 2014).…”

Additional studies on heterodiffusion coefficients in periclase

“…We use the equation reported by Van Orman et al (2009) activation energy h act = 213 ± 32 kJ mol −1 = 2.21 eV which was extracted from experimental diffusion data of Al in MgO. We consider at T = 2273 and room pressure, β = 3.16 × 10 −5 K −1 (Fabrichnaya et al, 2004). The isothermal B = 102.6 GPa and the temperature derivative (dB/ dT ) P = (0.0301 ± 0.0005) GPa K −1 are obtained from Table 6 of Sushil (2005): the first from interpolation to the data for P = 0 and the second from the slope of these data.…”