Phase Diagrams And Thermodynamic Modeling Of Solutions

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Phase Diagrams And Thermodynamic Modeling Of Solutions
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Author : Arthur D. Pelton
language : en
Publisher: Academic Press
Release Date : 2018-09-19
Phase Diagrams And Thermodynamic Modeling Of Solutions written by Arthur D. Pelton and has been published by Academic Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2018-09-19 with Science categories.
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 Equilibria Phase Diagrams And Phase Transformations
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Author : Mats Hillert
language : en
Publisher: Cambridge University Press
Release Date : 2007-11-22
Phase Equilibria Phase Diagrams And Phase Transformations written by Mats Hillert and has been published by Cambridge University Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2007-11-22 with Technology & Engineering categories.
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.
A Textbook Of Physical Chemistry Volume 1
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Author : Mandeep Dalal
language : en
Publisher: Dalal Institute
Release Date : 2018-01-01
A Textbook Of Physical Chemistry Volume 1 written by Mandeep Dalal and has been published by Dalal Institute this book supported file pdf, txt, epub, kindle and other format this book has been release on 2018-01-01 with Science categories.
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.
Phase Transformations In Materials
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Author : G. Kostorz
language : en
Publisher: Wiley-VCH
Release Date : 2001-10-25
Phase Transformations In Materials written by G. Kostorz and has been published by Wiley-VCH this book supported file pdf, txt, epub, kindle and other format this book has been release on 2001-10-25 with Science categories.
For all kinds of materials, phase transformations show common phenomena and mechanisms, and often turn a material, for example metals, multiphase alloys, ceramics or composites, into its technological useful form. The physics and thermodynamics of a transformation from the solid to liquid state or from one crystal form to another are therefore essential for creating high-performance materials. This handbook covers phase transformations, a general phenomenon central to understanding the behavior of materials and for creating high-performance materials. It will be an essential reference for all materials scientists, physicists and engineers involved in the research and development of new high performance materials. It is the revised and enhanced edition of the renowned book edited by the late P. Haasen in 1990 (Vol. 5, Materials Science and Technology).
Calphad Calculation Of Phase Diagrams A Comprehensive Guide
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Author : N. Saunders
language : en
Publisher: Elsevier
Release Date : 1998-06-09
Calphad Calculation Of Phase Diagrams A Comprehensive Guide written by N. Saunders and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 1998-06-09 with Technology & Engineering categories.
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
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Author : Ji-Cheng Zhao
language : en
Publisher: Elsevier
Release Date : 2011-05-05
Methods For Phase Diagram Determination written by Ji-Cheng Zhao and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2011-05-05 with Technology & Engineering categories.
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
Thermodynamic Data Models And Phase Diagrams In Multicomponent Oxide Systems
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Author : Olga Fabrichnaya
language : en
Publisher: Springer Science & Business Media
Release Date : 2013-03-14
Thermodynamic Data Models And Phase Diagrams In Multicomponent Oxide Systems written by Olga Fabrichnaya and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2013-03-14 with Science categories.
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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
Advances In Combustion Synthesis And Technology
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Author : Mehmet Bugdayci
language : en
Publisher: Bentham Science Publishers
Release Date : 2022-03-21
Advances In Combustion Synthesis And Technology written by Mehmet Bugdayci and has been published by Bentham Science Publishers this book supported file pdf, txt, epub, kindle and other format this book has been release on 2022-03-21 with Technology & Engineering categories.
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.
Geochemistry
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Author : William M. White
language : en
Publisher: John Wiley & Sons
Release Date : 2013-01-22
Geochemistry written by William M. White and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2013-01-22 with Science categories.
This book provides a comprehensive introduction to the field of geochemistry. The book first lays out the ‘geochemical toolbox’: the basic principles and techniques of modern geochemistry, beginning with a review of thermodynamics and kinetics as they apply to the Earth and its environs. These basic concepts are then applied to understanding processes in aqueous systems and the behavior of trace elements in magmatic systems. Subsequent chapters introduce radiogenic and stable isotope geochemistry and illustrate their application to such diverse topics as determining geologic time, ancient climates, and the diets of prehistoric peoples. The focus then broadens to the formation of the solar system, the Earth, and the elements themselves. Then the composition of the Earth itself becomes the topic, examining the composition of the core, the mantle, and the crust and exploring how this structure originated. A final chapter covers organic chemistry, including the origin of fossil fuels and the carbon cycle’s role in controlling Earth’s climate, both in the geologic past and the rapidly changing present. Geochemistry is essential reading for all earth science students, as well as for researchers and applied scientists who require an introduction to the essential theory of geochemistry, and a survey of its applications in the earth and environmental sciences. Additional resources can be found at: www.wiley.com/go/white/geochemistry
Polymorphism In The Pharmaceutical Industry
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Author : Rolf Hilfiker
language : en
Publisher: John Wiley & Sons
Release Date : 2019-01-04
Polymorphism In The Pharmaceutical Industry written by Rolf Hilfiker and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2019-01-04 with Science categories.
"Polymorphism in the Pharmaceutical Industry - Solid Form and Drug Development" highlights the relevance of polymorphism in modern pharmaceutical chemistry, with a focus on quality by design (QbD) concepts. It covers all important issues by way of case studies, ranging from properties and crystallization, via thermodynamics, analytics and theoretical modelling right up to patent issues. As such, the book underscores the importance of solid-state chemistry within chemical and pharmaceutical development. It emphasizes why solid-state issues are important, the approaches needed to avoid problems and the opportunities offered by solid-state properties. The authors include true polymorphs as well as solvates and hydrates, while providing information on physicochemical properties, crystallization thermodynamics, quantum-mechanical modelling, and up-scaling. Important analytical tools to characterize solid-state forms and to quantify mixtures are summarized, and case studies on solid-state development processes in industry are also provided. Written by acknowledged experts in the field, this is a high-quality reference for researchers, project managers and quality assurance managers in pharmaceutical, agrochemical and fine chemical companies as well as for academics and newcomers to organic solid-state chemistry.