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

Author: Olga Fabrichnaya

Publisher: Springer Science & Business Media

Published: 2004-01-12

Total Pages: 236

ISBN-13: 9783540140184

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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.

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

Author: Olga Fabrichnaya

Publisher: Springer Science & Business Media

Published: 2013-03-14

Total Pages: 216

ISBN-13: 3662105047

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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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .

Phase Diagrams and Thermodynamic Modeling of Solutions
Phase Diagrams and Thermodynamic Modeling of Solutions

Author: Arthur D. Pelton

Publisher: Academic Press

Published: 2018-09-19

Total Pages: 404

ISBN-13: 0128016698

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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

Computational Thermodynamics of Materials
Computational Thermodynamics of Materials

Author: Zi-Kui Liu

Publisher: Cambridge University Press

Published: 2016-06-30

Total Pages: 261

ISBN-13: 0521198968

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Integrates fundamental concepts with experimental data and practical applications, including worked examples and end-of-chapter problems.

CALPHAD (Calculation of Phase Diagrams): A Comprehensive Guide
CALPHAD (Calculation of Phase Diagrams): A Comprehensive Guide

Author: N. Saunders

Publisher: Elsevier

Published: 1998-06-09

Total Pages: 497

ISBN-13: 0080528430

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This monograph acts as a benchmark to current achievements in the field of Computer Coupling of Phase Diagrams and Thermochemistry, often called CALPHAD which is an acronym for Computer CALculation of PHAse Diagrams. It also acts as a guide to both the basic background of the subject area and the cutting edge of the topic, combining comprehensive discussions of the underlying physical principles of the CALPHAD method with detailed descriptions of their application to real complex multi-component materials.Approaches which combine both thermodynamic and kinetic models to interpret non-equilibrium phase transformations are also reviewed.

Methods for Phase Diagram Determination
Methods for Phase Diagram Determination

Author: Ji-Cheng Zhao

Publisher: Elsevier

Published: 2011-05-05

Total Pages: 522

ISBN-13: 0080549969

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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

Thermodynamics in Earth and Planetary Sciences
Thermodynamics in Earth and Planetary Sciences

Author: Jibamitra Ganguly

Publisher: Springer Nature

Published: 2020-01-21

Total Pages: 629

ISBN-13: 3030208796

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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.

Advances in Combustion Synthesis and Technology
Advances in Combustion Synthesis and Technology

Author: Mehmet Bugdayci

Publisher: Bentham Science Publishers

Published: 2022-03-21

Total Pages: 210

ISBN-13: 9815050451

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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.

High-Pressure Silicates and Oxides
High-Pressure Silicates and Oxides

Author: Masaki Akaogi

Publisher: Springer Nature

Published: 2022-11-14

Total Pages: 215

ISBN-13: 9811963630

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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.