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Phase Diagrams and Thermodynamic Modeling of Solutions

Phase Diagrams and Thermodynamic Modeling of Solutions PDF Author: Arthur D. Pelton
Publisher: Academic Press
ISBN: 0128016698
Category : Science
Languages : en
Pages : 404

Book Description
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

Phase Diagrams and Thermodynamic Modeling of Solutions

Phase Diagrams and Thermodynamic Modeling of Solutions PDF Author: Arthur D. Pelton
Publisher: Academic Press
ISBN: 0128016698
Category : Science
Languages : en
Pages : 404

Book Description
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

CALPHAD (Calculation of Phase Diagrams): A Comprehensive Guide

CALPHAD (Calculation of Phase Diagrams): A Comprehensive Guide PDF Author: N. Saunders
Publisher: Elsevier
ISBN: 0080528430
Category : Technology & Engineering
Languages : en
Pages : 497

Book Description
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.

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

Thermodynamic Data, Models, and Phase Diagrams in Multicomponent Oxide Systems PDF Author: Olga Fabrichnaya
Publisher: Springer Science & Business Media
ISBN: 9783540140184
Category : Science
Languages : en
Pages : 236

Book Description
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.

Phase Equilibria, Phase Diagrams and Phase Transformations

Phase Equilibria, Phase Diagrams and Phase Transformations PDF Author: Mats Hillert
Publisher: Cambridge University Press
ISBN: 1139465864
Category : Technology & Engineering
Languages : en
Pages : 525

Book Description
Computational tools allow material scientists to model and analyze increasingly complicated systems to appreciate material behavior. Accurate use and interpretation however, requires a strong understanding of the thermodynamic principles that underpin phase equilibrium, transformation and state. This fully revised and updated edition covers the fundamentals of thermodynamics, with a view to modern computer applications. The theoretical basis of chemical equilibria and chemical changes is covered with an emphasis on the properties of phase diagrams. Starting with the basic principles, discussion moves to systems involving multiple phases. New chapters cover irreversible thermodynamics, extremum principles, and the thermodynamics of surfaces and interfaces. Theoretical descriptions of equilibrium conditions, the state of systems at equilibrium and the changes as equilibrium is reached, are all demonstrated graphically. With illustrative examples - many computer calculated - and worked examples, this textbook is an valuable resource for advanced undergraduates and graduate students in materials science and engineering.

Phase Diagrams for Geoscientists

Phase Diagrams for Geoscientists PDF Author: Tibor Gasparik
Publisher: Springer Science & Business Media
ISBN: 1461457769
Category : Science
Languages : en
Pages : 467

Book Description
The book summarizes the results of the experimental studies of phase relations in the chemical systems relevant to Earth, carried out by the author in a time period of over 20 years between 1979 and 2001. It is based on 1000 piston-cylinder experiments at pressures up to 4 GPa, and close to 700 experiments carried out with a multi-anvil apparatus at pressures up to 24 GPA. This is the largest published collection of calculated phase diagrams for the chemical systems relevant to Earth. This is also the first time that the phase relations at the relatively low pressures of the lithospheric mantle, mainly applicable to the experimental thermobarometry of metamorphic rocks and mantle xenoliths, are seamlessly integrated with the phase relations of the sublithospheric upper mantle and the uppermost lower mantle, primarily applicable to inclusions in diamond and schocked meteorites. "Tibor Gasparik has devoted his career to determining the high-pressure, high-temperature phase relations of the geologically important Sodium-Calcium-Magnesium-Aluminium-Silicon (NCMAS) oxide system. This book is his opus magnum, summarizing more than 1700 experiments in over 120 figures. ... I have found Phase Diagrams for Geoscientists to be a useful first port-of-call for finding the P-T stability fields ... and I can recommend the book as a reference for geoscientists requiring an overview of the stable phase assemblages in the top 700 km of the Earth." (David Dobson, Geological Magazine, Vol. 142 (2), 2005)

Methods for Phase Diagram Determination

Methods for Phase Diagram Determination PDF Author: Ji-Cheng Zhao
Publisher: Elsevier
ISBN: 0080549969
Category : Technology & Engineering
Languages : en
Pages : 522

Book Description
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

Computational Thermodynamics

Computational Thermodynamics PDF Author: H. L. Lukas
Publisher:
ISBN:
Category : Mathematics
Languages : en
Pages : 342

Book Description
Phase diagrams are used in materials research and engineering to understand the interrelationship between composition, microstructure and process conditions. In complex systems, computational methods such as CALPHAD are employed to model thermodynamic properties for each phase and simulate multicomponent phase behavior. Written by recognized experts in the field, this is the first introductory guide to the CALPHAD method, providing a theoretical and practical approach. Building on core thermodynamic principles, this book applies crystallography, first principles methods and experimental data to computational phase behavior modeling using the CALPHAD method. With a chapter dedicated to creating thermodynamic databases, the reader will be confident in assessing, optimizing and validating complex thermodynamic systems alongside database construction and manipulation. Several case studies put the methods into a practical context, making this suitable for use on advanced materials design and engineering courses and an invaluable reference to those using thermodynamic data in their research or simulations.

Computational Thermodynamics of Materials

Computational Thermodynamics of Materials PDF Author: Zi-Kui Liu
Publisher: Cambridge University Press
ISBN: 0521198968
Category : Science
Languages : en
Pages : 261

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

Computer Calculation of Phase Diagrams with Special Reference to Refractory Metals

Computer Calculation of Phase Diagrams with Special Reference to Refractory Metals PDF Author: Larry Kaufman
Publisher:
ISBN:
Category : Science
Languages : en
Pages : 362

Book Description


Phase Equilibrium Engineering

Phase Equilibrium Engineering PDF Author: Esteban Alberto Brignole
Publisher: Newnes
ISBN: 044459471X
Category : Technology & Engineering
Languages : en
Pages : 347

Book Description
Traditionally, the teaching of phase equilibria emphasizes the relationships between the thermodynamic variables of each phase in equilibrium rather than its engineering applications. This book changes the focus from the use of thermodynamics relationships to compute phase equilibria to the design and control of the phase conditions that a process needs. Phase Equilibrium Engineering presents a systematic study and application of phase equilibrium tools to the development of chemical processes. The thermodynamic modeling of mixtures for process development, synthesis, simulation, design and optimization is analyzed. The relation between the mixture molecular properties, the selection of the thermodynamic model and the process technology that could be applied are discussed. A classification of mixtures, separation process, thermodynamic models and technologies is presented to guide the engineer in the world of separation processes. The phase condition required for a given reacting system is studied at subcritical and supercritical conditions. The four cardinal points of phase equilibrium engineering are: the chemical plant or process, the laboratory, the modeling of phase equilibria and the simulator. The harmonization of all these components to obtain a better design or operation is the ultimate goal of phase equilibrium engineering. - Methodologies are discussed using relevant industrial examples - The molecular nature and composition of the process mixture is given a key role in process decisions - Phase equilibrium diagrams are used as a drawing board for process implementation