Download or read book Thermodynamic Data Models and Phase Diagrams in Multicomponent Oxide Systems written by Olga Fabrichnaya and published by Springer Science & Business Media. This book was released on 2004-01-12 with total page 236 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book presents thermodynamic data on oxides in the system MgO-FeO-Fe2O3-Al2O3-SiO2. These data are produced by a process of assessment that involves the integration of thermochemical (calorimetric) and phase equilibrium data. The latter have been selected from a number of publications in high-pressure research conducted at pressures and temperatures in the range of 1 bar to several Giga Pascals and 300 to 2500 K respectively. A unique feature of the database is that the assessment involves not only the thermodynamic data on pure end member species, but also the data on multicomponent solutions. Since the solution description follows the format used in the popular thermodynamic computational packages such as FACTSAGE, ChemSage and Thermocalc, the database is easy to incorporate in the currently used databases in these packages. The database is highly useful to those working in the field of metallurgy (e.g. slags) and ceramics. It is essential for all those who do thermodynamic modeling of the terrestrial planetary interiors.

Download or read book Thermodynamic Data Models and Phase Diagrams in Multicomponent Oxide Systems written by Olga Fabrichnaya and published by . This book was released on 2014-01-15 with total page 224 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Phase Diagrams and Thermodynamic Modeling of Solutions written by Arthur D. Pelton and published by Academic Press. This book was released on 2018-09-19 with total page 404 pages. 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

Download or read book Thermodynamic Data Models and Phase Diagrams in Multicomponent Oxide Systems written by Olga Fabrichnaya and published by Springer Science & Business Media. This book was released on 2013-03-14 with total page 216 pages. 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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .

Download or read book Optimization and Calculation of Thermodynamic Properties and Phase Diagrams of Multi component Oxide Systems written by Ping Wu and published by . This book was released on 1992 with total page 910 pages. Available in PDF, EPUB and Kindle. Book excerpt:

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 and published by . This book was released on 2019 with total page pages. 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. " --

Download or read book Thermodynamic Modeling of MgO P2O5 MnO P2O5 and CaO MgO P2O5 Systems written by Gabriel Garcia Curiel and published by . This book was released on 2013 with total page pages. 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." --

Download or read book Applications of Phase Diagrams in Metallurgy and Ceramics written by Gesina C. Carter and published by . This book was released on 1978 with total page 776 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Computational Thermodynamics of Materials written by Zi-Kui Liu and published by Cambridge University Press. This book was released on 2016-06-30 with total page 261 pages. Available in PDF, EPUB and Kindle. Book excerpt: Integrates fundamental concepts with experimental data and practical applications, including worked examples and end-of-chapter problems.

Download or read book User Aspects of Phase Diagrams written by F. H. Hayes and published by CRC Press. This book was released on 1991 with total page 320 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Thermodynamic Modeling of the Na2O CaO MgO As2O5 Binary Systems written by Jun-Hyung Lee and published by . This book was released on 2020 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: "Arsenic is a highly toxic element found associated with certain minerals and in the drinking water in some parts of the world. Not only is arsenic dangerous, but handling it is difficult due to its volatility and tendency to absorb water. The copper industry accesses more and more arsenic containing mineral deposits due to the depletion of copper ores. Even in the gold industry, ore bodies containing significant levels of arsenic are under consideration. In pyrometallurgical and hydrometallurgical processes of such minerals, arsenic becomes a major environmental issue to be resolved for sustainable processing. One possible industrial route to minimize the environmental arsenic problem is the stabilization of arsenic oxide into a glass phase. In order to understand the fundamentals of such a stabilization process and to design the proper glass composition and operating conditions, the thermodynamic knowledge of arsenic oxides in multicomponent oxide systems is indispensable. As part of a larger thermodynamic database for the understanding of thermodynamic behavior of arsenic oxide (arsenate, As2O5) in solid and liquid state, thermodynamic modeling of binary Na2O-As2O5, CaO-As2O5 and MgO-As2O5 systems were performed in the present study. The Gibbs energies of all available phases in each binary system were determined based on the critical evaluation and optimization of existing thermodynamic and phase diagram data. As thermodynamic data of solid compounds and liquid solution available in literature were insufficient, the general trends in each binary arsenate systems were evaluated and used for the estimation of unknown thermodynamic properties in the course of the present thermodynamic optimization process. The Gibbs energy of the liquid solution of each binary arsenate system was described using the Modified Quasichemical Model to capture the effects short-range ordering. All thermodynamic calculations in this study were made using the FactSage thermodynamic software"--

Download or read book Thermodynamic Properties of Some Metal Oxide zirconia Systems written by Nathan S. Jacobson and published by . This book was released on 1989 with total page 66 pages. Available in PDF, EPUB and Kindle. Book excerpt: Metal oxide-zirconia systems are a potential class of materials for use as structural materials at temperatures above 1900 K. These materials must have no destructive phase changes and low vapor pressures. Both alkaline earth oxide (MgO, CaO, SrO, and BaO)-zirconia and some rare earth oxide (Y2O3, Sc2O3, La2O3, CeO2, Sm2O3, Gd2O3, Yb2O3, Dy2O3, Ho2O3, and Er2O3)-zirconia system are examined. For each system, the phase diagram is discussed and the vapor pressure for each vapor specie is calculated via a free energy minimization procedure. The available thermodynamic literature on each system is also surveyed. Some of the systems look promising for high temperature structural materials.

Download or read book Methods for Phase Diagram Determination written by Ji-Cheng Zhao and published by Elsevier. This book was released on 2011-05-05 with total page 522 pages. Available in PDF, EPUB and Kindle. Book excerpt: Phase diagrams are "maps" materials scientists often use to design new materials. They define what compounds and solutions are formed and their respective compositions and amounts when several elements are mixed together under a certain temperature and pressure. This monograph is the most comprehensive reference book on experimental methods for phase diagram determination. It covers a wide range of methods that have been used to determine phase diagrams of metals, ceramics, slags, and hydrides. * Extensive discussion on methodologies of experimental measurements and data assessments * Written by experts around the world, covering both traditional and combinatorial methodologies* A must-read for experimental measurements of phase diagrams

Download or read book Thermodynamics in Earth and Planetary Sciences written by Jibamitra Ganguly and published by Springer Nature. This book was released on 2020-01-21 with total page 610 pages. Available in PDF, EPUB and Kindle. Book excerpt: Based on a university course, this book provides an exposition of a large spectrum of geological, geochemical and geophysical problems that are amenable to thermodynamic analysis. It also includes selected problems in planetary sciences, relationships between thermodynamics and microscopic properties, particle size effects, methods of approximation of thermodynamic properties of minerals, and some kinetic ramifications of entropy production. The textbook will enable graduate students and researchers alike to develop an appreciation of the fundamental principles of thermodynamics, and their wide ranging applications to natural processes and systems.

Download or read book Advances in Combustion Synthesis and Technology written by Mehmet Bugdayci and published by Bentham Science Publishers. This book was released on 2022-03-21 with total page 210 pages. Available in PDF, EPUB and Kindle. Book excerpt: This reference is an accessible update on combustion synthesis and the chemical technology for synthesizing composite materials. Nine chapters offer an overview of the subject with recent references, giving the reader an informed perspective. The book starts with an introduction to thermodynamic models used in combustion synthesis. Subsequent chapters explain the application of combustion synthesis to manufacture different materials such as nanostructured non-ferrous alloys, ceramic powders, functionally graded materials, boron carbide-based superhard materials, shape memory alloys, biomaterials, high-entropy alloys and rare earth phosphates. The range of topics makes this book a useful guide for students, scientists and industrial professionals in the field of chemical engineering, metallurgy and materials science.

Download or read book High Pressure Silicates and Oxides written by Masaki Akaogi and published by Springer Nature. This book was released on 2022-11-14 with total page 215 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book presents a summary of high-pressure phase transitions of minerals and related inorganic compounds. The first part reviews the methods to investigate phase transitions by direct high-pressure and high-temperature experiments together with thermodynamic approaches that consist of calorimetric measurements and thermodynamic calculation. In the second part, phase relations and thermodynamic properties of olivine, pyroxene, garnet, spinel, perovskite, rutile, and related inorganic compounds with A2BO4, ABO3, AB2O4, and AO2 stoichiometries are described. Particular emphasis is placed on spinel- and perovskite-structured phases and their high-pressure polymorphs called post-spinel and post-perovskite phases. The last part of the book focuses on phase relations of mantle rocks and on natural high-pressure minerals from the Earth’s deep mantle and in shocked meteorites.

Download or read book Coupled Thermodynamic Modeling and Experimental Study of Na2O FeO Fe2O3 CaO MgO A12O3 SiO2 System written by Elmira Moosavi Khoonsari and published by . This book was released on 2016 with total page pages. 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." --