Share

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

2019
Download Coupled Experimental and Thermodynamic Modeling of A12O3-CaO-FeO-Fe2O3-MgO-MnO-Mn2O3-SiO2- TiO3-TiO2 System PDF Online Free

Author :
Release : 2019
Genre :
Kind : eBook
Book Rating : /5 ( reviews)

GET EBOOK


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. " --

Coupled Thermodynamic Modeling and Experimental Study of Na2O-FeO-Fe2O3-CaO-MgO-A12O3-SiO2 System

2016
Download Coupled Thermodynamic Modeling and Experimental Study of Na2O-FeO-Fe2O3-CaO-MgO-A12O3-SiO2 System PDF Online Free

Author :
Release : 2016
Genre :
Kind : eBook
Book Rating : /5 ( reviews)

GET EBOOK


Book Synopsis Coupled Thermodynamic Modeling and Experimental Study of Na2O-FeO-Fe2O3-CaO-MgO-A12O3-SiO2 System by : Elmira Moosavi Khoonsari

Download or read book Coupled Thermodynamic Modeling and Experimental Study of Na2O-FeO-Fe2O3-CaO-MgO-A12O3-SiO2 System written by Elmira Moosavi Khoonsari. This book was released on 2016. Available in PDF, EPUB and Kindle. Book excerpt: "The significance of the Na2O-FeO-Fe2O3-CaO-MgO-Al2O3-SiO2 system stems from its applications in industrial processes and natural phenomena. This system in whole or in part was studied for the cooling system of fast breeder reactors, the desulfurization of hot metal and liquid steel, the production of bioactive glasses, coal-combustion slags, the reduction process of bauxite with soda for the production of Al2O3, and the production of solid-state electrodes for electrochemical cells. It also possesses many well-known minerals such as wüstite, spinel, corundum, aegirine, etc. which are of importance in geology. However, phase equilibria in this system are indeed very complex due to the change of Fe oxidation state with oxygen partial pressure and the substitution of Fe3+ by Al3+ in solid solutions. Moreover, the high vapor pressure of sodium, hygroscopicity, high viscosity of SiO2-rich melts, and high fluidity of Na2O- and FeO-rich melts make the experimental study of this system quite challenging. As a result, experimental results in this system were often inconsistent and limited in terms of composition and temperature. Therefore, the construction of a coherent thermodynamic database for the Na2O-FeO-Fe2O3-CaO-MgO-Al2O3-SiO2 system is essential to optimize existing material processes and to develop new processes and advanced materials.All solid and liquid phases of two binaries, six ternaries and two multicomponent sub-systems in the Na2O-FeO-Fe2O3-CaO-MgO-Al2O3-SiO2 system were critically evaluated and optimized in the current study. Using proper thermodynamic models considering the crystal structure of each phase reduces the number of model parameters and thus, enhances the predictive ability of models especially in high order systems. The molten oxide phase was modeled using the Modified Quasichemical Model which takes into account second-nearest-neighbor cation ordering. Extensive solid solutions such as meta-oxides, [beta]"-alumina and pyroxene were treated within the frame work of Compound Energy Formalism with the consideration of their sublattice crystal structures. The wüstite solid solution was modeled using polynomial expansions of the excess Gibbs energy. The sulfide dissolution in the molten oxide phase was modeled using the Modified Quasichemical Model in quadruplet approximation taking into account both first and second-nearest-neighbor short range ordering, simultaneously. Experimental data in the Na2O-FeO-Fe2O3-Al2O3 system were very limited. Hence, key phase diagram experiments and thermodynamic optimization were conducted in this system. Phase diagram experiments were performed using the quenching method followed by Electron Probe Micro-Analysis and X-Ray Diffraction for phase identification. Two- and three-phase equilibria of this system including solid and liquid phases were determined, and the presence of [beta]"-alumina solid solution with a large miscibility gap was revealed for the first time in this work. The developed database was applied to predict the sulfide dissolution in the Na2O-FeO-Fe2O3-CaO-MgO-MnO-Al2O3-SiO2 molten oxide phase which is of high importance for the production of low sulfur steels. Based on the present thermodynamic modeling results, it was shown, for the first time, that the sulfide capacity of Na2O-containing oxide melts is not always a unique property of a given melt composition, and can vary with the gas composition in equilibrium with the oxide melt." --

Thermodynamic Modeling of MgO-P2O5, MnO-P2O5 and CaO-MgO-P2O5 Systems

2013
Download Thermodynamic Modeling of MgO-P2O5, MnO-P2O5 and CaO-MgO-P2O5 Systems PDF Online Free

Author :
Release : 2013
Genre :
Kind : eBook
Book Rating : /5 ( reviews)

GET EBOOK


Book Synopsis Thermodynamic Modeling of MgO-P2O5, MnO-P2O5 and CaO-MgO-P2O5 Systems by : Gabriel Garcia Curiel

Download or read book Thermodynamic Modeling of MgO-P2O5, MnO-P2O5 and CaO-MgO-P2O5 Systems written by Gabriel Garcia Curiel. This book was released on 2013. Available in PDF, EPUB and Kindle. Book excerpt: "As part of a sustained effort to model and simulate the thermodynamic behavior of steelmaking slag, binary and ternary phase diagram systems have been modeled using the CALPHAD (CALculation of PHAse Diagrams) approach. The understanding, modeling and thermodynamic simulation of oxide systems including phosphorus oxide are of special importance to the steelmaking industry given requirements for steels with ever lower phosphorus contents while facing the processing of ores with increasing phosphorus content.In this project, two binary systems (MgO-P2O5 and MnO-P2O5) and one ternary system (CaO-MgO-P2O5) were modeled to extend the oxide database of the Factsage thermodynamic simulation software package. This present study is part of a broader effort conducted to develop a comprehensive thermodynamic database for the CaO-MgO-MnO-FeO-Fe2O3-Al2O3-Na2O-P2O5 / Fe Liq. system and allow the thermodynamic simulation of steelmaking processes such as dephosphorization. All available experimental data in the literature were critically assessed and a set of thermodynamic model parameters were developed to simulate reliably the experimental results within experimental error limits. The properties of liquid oxides and solid P2O5 compounds were described by thermodynamic models and standard Gibbs energy functions.The thermodynamic property of the liquid solution (or slag) were described using the Modified Quasi-Chemical Model (MQM) developed by Pelton et. al. (2000). This model allows to simulate short range ordering (SRO). Thermodynamic properties of solid solution phases are described using the Compound Energy Formalism (CEF) by Hillert (2000) which considers the crystal structure of each solid solution." --

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

2013-03-14 Science
Download Thermodynamic Data, Models, and Phase Diagrams in Multicomponent Oxide Systems PDF Online Free

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

GET EBOOK


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 Model Description of the Liquid Phase in the Al2O3 -CaO-SiO2, Al2O3-FeO-SiO2 and Al2-MnO-SiO2 Systems

1999
Download Thermodynamic Model Description of the Liquid Phase in the Al2O3 -CaO-SiO2, Al2O3-FeO-SiO2 and Al2-MnO-SiO2 Systems PDF Online Free

Author :
Release : 1999
Genre :
Kind : eBook
Book Rating : /5 ( reviews)

GET EBOOK


Book Synopsis Thermodynamic Model Description of the Liquid Phase in the Al2O3 -CaO-SiO2, Al2O3-FeO-SiO2 and Al2-MnO-SiO2 Systems by :

Download or read book Thermodynamic Model Description of the Liquid Phase in the Al2O3 -CaO-SiO2, Al2O3-FeO-SiO2 and Al2-MnO-SiO2 Systems written by . This book was released on 1999. Available in PDF, EPUB and Kindle. Book excerpt:

You may also like...