Phase Equilibria, Phase Diagrams and Phase Transformations

Phase Equilibria, Phase Diagrams and Phase Transformations
Author: Mats Hillert
Publisher: Cambridge University Press
Total Pages: 525
Release: 2007-11-22
Genre: Technology & Engineering
ISBN: 1139465864

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.

Methods for Phase Diagram Determination

Methods for Phase Diagram Determination
Author: Ji-Cheng Zhao
Publisher: Elsevier
Total Pages: 522
Release: 2011-05-05
Genre: Technology & Engineering
ISBN: 0080549969

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

High Temperature Phase Equilibria and Phase Diagrams

High Temperature Phase Equilibria and Phase Diagrams
Author: Chu-Kun Kuo
Publisher: Elsevier
Total Pages: 249
Release: 2017-10-06
Genre: Science
ISBN: 1483286738

High temperature phase equilibria studies play an increasingly important role in materials science and engineering. It is especially significant in the research into the properties of the material and the ways in which they can be improved. This is achieved by observing equilibrium and by examining the phase relationships at high temperature. The study of high temperature phase diagrams of nonmetallic systems began in the early 1900s when silica and mineral systems containing silica were focussed upon. Since then technical ceramics emerged and more emphasis has been placed on high temperature studies. This book covers many aspects, from the fundamentals of phase diagrams, experimental and computational methods, applications, to the results of research. It provides an excellent source of information for a range of scientists such as materials scientists, especially ceramicists, metallurgists, solid-state physicists and chemists, and mineralogists.

Phase Diagrams

Phase Diagrams
Author: Flake C. Campbell
Publisher: ASM International
Total Pages: 471
Release: 2012-01-01
Genre: Science
ISBN: 1615039864

This well-written text is for non-metallurgists and anyone seeking a quick refresher on an essential tool of modern metallurgy. The basic principles, construction, interpretation, and use of alloy phase diagrams are clearly described with ample illustrations for all important liquid and solid reactions. Gas-metal reactions, important in metals processing and in-service corrosion, also are discussed. Get the basics on how phase diagrams help predict and interpret the changes in the structure of alloys.

Phase Equilibria Diagrams of High Temperature Non-oxide Ceramics

Phase Equilibria Diagrams of High Temperature Non-oxide Ceramics
Author: Zhenkun Huang
Publisher: Springer
Total Pages: 181
Release: 2018-06-07
Genre: Technology & Engineering
ISBN: 9811304637

This book explores new experimental phase diagrams of non-oxide ceramics, with a particular focus on the silicon nitride, silicon carbide and aluminum nitride, as well as the ultra-high temperature ceramic (UHTC) systems. It features more than 80 experimental phase diagrams of these non-oxide ceramics, including three phase diagrams of UHTC systems, constructed by the authors. Physical chemistry data covering the period since the 1970s, collected by the author Z.K.Huang, is presented in six tables in the appendixes. It also includes 301 figures involving about 150 material systems. Most of the phase diagrams have been selected from the ACerS-NIST database with copyright permission. The book methodically presents numerous diagrams previously scattered in various journals and conferences worldwide. Providing extensive experimental data, it is a valuable reference resource on ceramics development and design for academic researchers, R&D engineers and graduate students.

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
Total Pages: 236
Release: 2004-01-12
Genre: Science
ISBN: 9783540140184

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 Diagrams and Thermodynamic Modeling of Solutions

Phase Diagrams and Thermodynamic Modeling of Solutions
Author: Arthur D. Pelton
Publisher: Academic Press
Total Pages: 404
Release: 2018-09-19
Genre: Science
ISBN: 0128016698

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

Computational Thermodynamics
Author: H. L. Lukas
Publisher:
Total Pages: 342
Release: 2007-07-12
Genre: Mathematics
ISBN:

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.

A Textbook of Physical Chemistry – Volume 1

A Textbook of Physical Chemistry – Volume 1
Author: Mandeep Dalal
Publisher: Dalal Institute
Total Pages: 432
Release: 2018-01-01
Genre: Science
ISBN: 8193872010

An advanced-level textbook of physical chemistry for the graduate (B.Sc) and postgraduate (M.Sc) students of Indian and foreign universities. This book is a part of four volume series, entitled "A Textbook of Physical Chemistry – Volume I, II, III, IV". CONTENTS: Chapter 1. Quantum Mechanics – I: Postulates of quantum mechanics; Derivation of Schrodinger wave equation; Max-Born interpretation of wave functions; The Heisenberg’s uncertainty principle; Quantum mechanical operators and their commutation relations; Hermitian operators (elementary ideas, quantum mechanical operator for linear momentum, angular momentum and energy as Hermition operator); The average value of the square of Hermitian operators; Commuting operators and uncertainty principle(x & p; E & t); Schrodinger wave equation for a particle in one dimensional box; Evaluation of average position, average momentum and determination of uncertainty in position and momentum and hence Heisenberg’s uncertainty principle; Pictorial representation of the wave equation of a particle in one dimensional box and its influence on the kinetic energy of the particle in each successive quantum level; Lowest energy of the particle. Chapter 2. Thermodynamics – I: Brief resume of first and second Law of thermodynamics; Entropy changes in reversible and irreversible processes; Variation of entropy with temperature, pressure and volume; Entropy concept as a measure of unavailable energy and criteria for the spontaneity of reaction; Free energy, enthalpy functions and their significance, criteria for spontaneity of a process; Partial molar quantities (free energy, volume, heat concept); Gibb’s-Duhem equation. Chapter 3. Chemical Dynamics – I: Effect of temperature on reaction rates; Rate law for opposing reactions of Ist order and IInd order; Rate law for consecutive & parallel reactions of Ist order reactions; Collision theory of reaction rates and its limitations; Steric factor; Activated complex theory; Ionic reactions: single and double sphere models; Influence of solvent and ionic strength; The comparison of collision and activated complex theory. Chapter 4. Electrochemistry – I: Ion-Ion Interactions: The Debye-Huckel theory of ion- ion interactions; Potential and excess charge density as a function of distance from the central ion; Debye Huckel reciprocal length; Ionic cloud and its contribution to the total potential; Debye - Huckel limiting law of activity coefficients and its limitations; Ion-size effect on potential; Ion-size parameter and the theoretical mean-activity coefficient in the case of ionic clouds with finite-sized ions; Debye - Huckel-Onsager treatment for aqueous solutions and its limitations; Debye-Huckel-Onsager theory for non-aqueous solutions; The solvent effect on the mobality at infinite dilution; Equivalent conductivity (Λ) vs. concentration c 1/2 as a function of the solvent; Effect of ion association upon conductivity (Debye- Huckel - Bjerrum equation). Chapter 5. Quantum Mechanics – II: Schrodinger wave equation for a particle in a three dimensional box; The concept of degeneracy among energy levels for a particle in three dimensional box; Schrodinger wave equation for a linear harmonic oscillator & its solution by polynomial method; Zero point energy of a particle possessing harmonic motion and its consequence; Schrodinger wave equation for three dimensional Rigid rotator; Energy of rigid rotator; Space quantization; Schrodinger wave equation for hydrogen atom, separation of variable in polar spherical coordinates and its solution; Principle, azimuthal and magnetic quantum numbers and the magnitude of their values; Probability distribution function; Radial distribution function; Shape of atomic orbitals (s,p & d). Chapter 6. Thermodynamics – II: Classius-Clayperon equation; Law of mass action and its thermodynamic derivation; Third law of thermodynamics (Nernest heat theorem, determination of absolute entropy, unattainability of absolute zero) and its limitation; Phase diagram for two completely miscible components systems; Eutectic systems, Calculation of eutectic point; Systems forming solid compounds Ax By with congruent and incongruent melting points; Phase diagram and thermodynamic treatment of solid solutions. Chapter 7. Chemical Dynamics – II: Chain reactions: hydrogen-bromine reaction, pyrolysis of acetaldehyde, decomposition of ethane; Photochemical reactions (hydrogen - bromine & hydrogen -chlorine reactions); General treatment of chain reactions (ortho-para hydrogen conversion and hydrogen - bromine reactions); Apparent activation energy of chain reactions, Chain length; Rice-Herzfeld mechanism of organic molecules decomposition(acetaldehyde); Branching chain reactions and explosions ( H2-O2 reaction); Kinetics of (one intermediate) enzymatic reaction : Michaelis-Menton treatment; Evaluation of Michaelis 's constant for enzyme-substrate binding by Lineweaver-Burk plot and Eadie-Hofstae methods; Competitive and non-competitive inhibition. Chapter 8. Electrochemistry – II: Ion Transport in Solutions: Ionic movement under the influence of an electric field; Mobility of ions; Ionic drift velocity and its relation with current density; Einstein relation between the absolute mobility and diffusion coefficient; The Stokes- Einstein relation; The Nernst -Einstein equation; Walden’s rule; The Rate-process approach to ionic migration; The Rate process equation for equivalent conductivity; Total driving force for ionic transport, Nernst - Planck Flux equation; Ionic drift and diffusion potential; the Onsager phenomenological equations; The basic equation for the diffusion; Planck-Henderson equation for the diffusion potential.