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

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Release : 2013-03-14
Genre : Science
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Book Rating : 047/5 ( reviews)

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Book Synopsis Thermodynamic Data, Models, and Phase Diagrams in Multicomponent Oxide Systems by : Olga Fabrichnaya

Download or read book Thermodynamic Data, Models, and Phase Diagrams in Multicomponent Oxide Systems written by Olga Fabrichnaya. This book was released on 2013-03-14. Available in PDF, EPUB and Kindle. Book excerpt: This book involves application of the Calphad method for derivation of a self consistent thermodynamic database for the geologically important system Mg0- Fe0-Fe203-Alz03-Si02 at pressures and temperatures of Earth's upper mantle and the transition zone of that mantle for Earth. The created thermodynamic database reproduces phase relations at 1 bar and at pressures up to 30 GPa. The minerals are modelled by compound energy formalism, which gives realistic descriptions of their Gibbs energy and takes into account crystal structure data. It incorporates a detailed review of diverse types of experimental data which are used to derive the thermodynamic database: phase equilibria, calorimetric stud ies, and thermoelastic property measurements. The book also contains tables of thermodynamic properties at 1 bar (enthalpy and Gibbs energy of formation from the elements, entropy, and heat capacity, and equation of state data at pressures from 1 bar to 30 GPa. Mixing parameters of solid solutions are also provided by the book. Table of Contents Introduction to the Series . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . V Acknowledgments . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . VII Preface . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . IX Table of Contents . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . XI Co-Authors . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . XIII Vitae of Co-Authors . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . XV CODATA Task Group on Geothermodynamic Data . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . XXIII Chapter 1. Thermodynamics and Modeling . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1. 1 Introduction . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1. 2 Thermodynamic Modeling . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1. 3 Experimental Data . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 3 1. 4 Programs and Assessment. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4 System and Phases . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5 1. 5 Chapter 2. Experimental Phase Equilibrium Data . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7 The Si02 System . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7 2. 1 2. 2 The Fe-0 System . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 8 2. 3 The Fe-Si-0 System . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 10 2. 4 The Mg0-Si0 System . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .

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

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Release : 2014-01-15
Genre :
Kind : eBook
Book Rating : 054/5 ( reviews)

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Book Synopsis Thermodynamic Data, Models, and Phase Diagrams in Multicomponent Oxide Systems by : Olga Fabrichnaya

Download or read book Thermodynamic Data, Models, and Phase Diagrams in Multicomponent Oxide Systems written by Olga Fabrichnaya. This book was released on 2014-01-15. Available in PDF, EPUB and Kindle. Book excerpt:

Phase Diagrams and Thermodynamic Modeling of Solutions

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Author :
Release : 2018-09-19
Genre : Science
Kind : eBook
Book Rating : 698/5 ( reviews)

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Book Synopsis Phase Diagrams and Thermodynamic Modeling of Solutions by : Arthur D. Pelton

Download or read book Phase Diagrams and Thermodynamic Modeling of Solutions written by Arthur D. Pelton. This book was released on 2018-09-19. Available in PDF, EPUB and Kindle. Book excerpt: Phase Diagrams and Thermodynamic Modeling of Solutions provides readers with an understanding of thermodynamics and phase equilibria that is required to make full and efficient use of these tools. The book systematically discusses phase diagrams of all types, the thermodynamics behind them, their calculations from thermodynamic databases, and the structural models of solutions used in the development of these databases. Featuring examples from a wide range of systems including metals, salts, ceramics, refractories, and concentrated aqueous solutions, Phase Diagrams and Thermodynamic Modeling of Solutions is a vital resource for researchers and developers in materials science, metallurgy, combustion and energy, corrosion engineering, environmental engineering, geology, glass technology, nuclear engineering, and other fields of inorganic chemical and materials science and engineering. Additionally, experts involved in developing thermodynamic databases will find a comprehensive reference text of current solution models. Presents a rigorous and complete development of thermodynamics for readers who already have a basic understanding of chemical thermodynamics Provides an in-depth understanding of phase equilibria Includes information that can be used as a text for graduate courses on thermodynamics and phase diagrams, or on solution modeling Covers several types of phase diagrams (paraequilibrium, solidus projections, first-melting projections, Scheil diagrams, enthalpy diagrams), and more

Optimization and Calculation of Thermodynamic Properties and Phase Diagrams of Multi-component Oxide Systems

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Author :
Release : 1992
Genre :
Kind : eBook
Book Rating : /5 ( reviews)

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Book Synopsis Optimization and Calculation of Thermodynamic Properties and Phase Diagrams of Multi-component Oxide Systems by : Ping Wu

Download or read book Optimization and Calculation of Thermodynamic Properties and Phase Diagrams of Multi-component Oxide Systems written by Ping Wu. This book was released on 1992. Available in PDF, EPUB and Kindle. Book excerpt:

Coupled Experimental and Thermodynamic Modeling of A12O3-CaO-FeO-Fe2O3-MgO-MnO-Mn2O3-SiO2- TiO3-TiO2 System

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Release : 2019
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Book Rating : /5 ( reviews)

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Book Synopsis Coupled Experimental and Thermodynamic Modeling of A12O3-CaO-FeO-Fe2O3-MgO-MnO-Mn2O3-SiO2- TiO3-TiO2 System by : Sourav Panda

Download or read book Coupled Experimental and Thermodynamic Modeling of A12O3-CaO-FeO-Fe2O3-MgO-MnO-Mn2O3-SiO2- TiO3-TiO2 System written by Sourav Panda. This book was released on 2019. Available in PDF, EPUB and Kindle. Book excerpt: "The phase diagram and thermodynamic properties of the Al2O3-CaO-FeO-Fe2O3-MgO-MnO-Mn2O3-SiO2-Ti2O3-TiO2 system are important in various applications such as steelmaking, refractories, advanced ceramics, petrology and geochemistry. In the present work, the available thermodynamic database for the Al2O3-CaO-FeO-Fe2O3-MgO-SiO2 system was expanded toward the Mn and Ti oxide systems to develop an accurate thermodynamic database for the ten-component system. For this purpose, a complete literature review, critical evaluation and thermodynamic optimization of the phase diagrams and thermodynamic properties of related systems at 1 atm was performed. As part of the thermodynamic study, key phase diagram experiments were performed in the Fe-Ti-O, Mn-Ti-O, Al-Ti-O, Fe-Mn-Ti-O, Mg-Mn-Ti-O, Mn-Si-Ti-O, and Mn-Al-Ti-O systems in air to obtain unknown phase equilibria between the liquid phase and complex solid solutions and resolve any inconsistencies among existing experimental data in the literature.Phase diagram experiments were performed using the classical equilibration and quenching technique. Phase analysis was performed using Electron Probe Microanalysis (EPMA) and X-ray Diffraction (XRD) on all the quenched samples. In the Al-Ti-O system, the solubility of Al2O3 in the rutile (TiO2) solid solution was measured at high temperature. In the Fe-Ti-O system, the liquidus, solubility of Fe2O3 in the rutile (TiO2) solution, and the homogeneity ranges of Fe2O3-FeTiO3 ilmenite and Fe2TiO5-Ti3O5 pseudobrookite solutions were determined at high temperature. In the Mn-Ti-O system, the liquidus, MnO solubility in rutile and the homogeneity range of Mn3O4-Mn2TiO4 spinel were measured. In the Mg-Mn-Ti-O, Fe-Mn-Ti-O and Mn-Si-Ti-O systems, the complex phase equilibria between liquid and solid solutions were experimentally elucidated for the first time in air atmosphere. For the thermodynamic optimization, the liquid phase was described using the Modified Quasichemical Model considering short-range ordering in the molten oxide and the Gibbs energies of the complex solid solutions pseudobrookite, ilmenite and spinel were described using the Compound Energy Formalism considering the crystal structure of each solid solution. Using the thermodynamic models with optimized model parameters in binary and ternary systems, the phase diagrams and thermodynamic properties of higher order systems in the Al2O3-CaO-FeO-Fe2O3-MgO-MnO-Mn2O3-SiO2-Ti2O3-TiO2 system were well calculated. The database containing the optimized model parameters in this study is compatible with the other FactSage thermodynamic databases and can be used to calculate any unexplored phase diagram and thermodynamic properties within the ten-component system. The database can be used for the complex thermodynamic calculations applicable to pyrometallurgy and advanced ceramics and used for the optimization of industrial processes and the development of new materials. " --

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