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Phase Diagrams and Thermodynamic Modeling of Solutions

Phase Diagrams and Thermodynamic Modeling of Solutions
A Book

by Arthur D. Pelton

  • Publisher : Academic Press
  • Release : 2018-09-19
  • Pages : 401
  • ISBN : 0128016698
  • Language : En, Es, Fr & De
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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

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

Thermodynamic Data, Models, and Phase Diagrams in Multicomponent Oxide Systems
An Assessment for Materials and Planetary Scientists Based on Calorimetric, Volumetric and Phase Equilibrium Data

by Olga Fabrichnaya,Surendra K. Saxena,Pascal Richet,Edgar F. Westrum

  • Publisher : Springer Science & Business Media
  • Release : 2013-03-14
  • Pages : 198
  • ISBN : 3662105047
  • Language : En, Es, Fr & De
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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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .

Coupled Experimental and Thermodynamic Modeling of A12O3-CaO-FeO-Fe2O3-MgO-MnO-Mn2O3-SiO2- TiO3-TiO2 System

Coupled Experimental and Thermodynamic Modeling of A12O3-CaO-FeO-Fe2O3-MgO-MnO-Mn2O3-SiO2- TiO3-TiO2 System
A Book

by Sourav Panda

  • Publisher : Unknown Publisher
  • Release : 2019
  • Pages : 329
  • ISBN : 9876543210XXX
  • Language : En, Es, Fr & De
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"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. " --

Materials Science and Engineering

Materials Science and Engineering
Chapter 11. Thermodynamic Databases and Phase Diagrams

by S.K. Saxena

  • Publisher : Elsevier Inc. Chapters
  • Release : 2013-07-10
  • Pages : 542
  • ISBN : 0128059419
  • Language : En, Es, Fr & De
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The use of thermodynamic databases permits the calculation of equilibrium phase diagrams of many important industrial systems. An assessed thermodynamic database based on the results of decades of conducting experiments and calorimetric measurements is at the core of all industrial and scientific enquiries. An internally consistent database is assessed (built) by using the thermochemical (calorimetric) data in producing the results of phase equilibrium experiments. The procedure is usually referred to as the Calphad method. In equilibrium calculations, the temperature and composition variables are standard but the inclusion of the important variable pressure requires more complicated models for equations of state. The latter require pressure–volume–temperature data on materials that are not so common. Similarly, while there is ample data on binary and some ternary solutions, the multicomponent and multisite models become very cumbersome to deal with. Existing thermodynamic data permit us to draw many interesting phase diagrams such as the binary silicides (Mn–Si, W–Si), and carbothermal reduction of silica and iron at extreme pressures. Many of the currently existing phase diagrams are not based on actual in situ crystal structures at the appropriate temperature or pressure. An example of Al–Fe is given.

Application of Engel-Brewer and Miedema Semi-Empirical Models Combined with Entropy Models to Thermodynamic Modeling of Binary Systems

Application of Engel-Brewer and Miedema Semi-Empirical Models Combined with Entropy Models to Thermodynamic Modeling of Binary Systems
A Book

by Gilnaz Arzpeyma

  • Publisher : Unknown Publisher
  • Release : 2011
  • Pages : 329
  • ISBN : 9876543210XXX
  • Language : En, Es, Fr & De
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Phase Equilibrium Engineering

Phase Equilibrium Engineering
A Book

by Esteban Alberto Brignole,Selva Pereda

  • Publisher : Newnes
  • Release : 2013-04-02
  • Pages : 346
  • ISBN : 044459471X
  • Language : En, Es, Fr & De
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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

Phase Equilibria, Phase Diagrams and Phase Transformations

Phase Equilibria, Phase Diagrams and Phase Transformations
Their Thermodynamic Basis

by Mats Hillert

  • Publisher : Cambridge University Press
  • Release : 1998-03-12
  • Pages : 554
  • ISBN : 9780521562706
  • Language : En, Es, Fr & De
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This textbook deals with the theoretical basis of chemical equilibria and chemical changes and emphasizes the properties of phase diagrams. The author treats the field from a modern perspective. He takes into account the dramatic changes in the methods of applying thermodynamics caused by the development both of computer operated programs for sophisticated equilibrium calculations and of extensive databases containing thermodynamic parameter values for individual phases from which all thermodynamic properties may be calculated. This new situation has inspired a new approach to the teaching of basic thermodynamics. Illustrative examples of thermodynamic modeling are also given, and the book contains many exercises and worked solutions. This modern text will be of value to undergraduate and graduate students in materials science and chemistry.

Thermodynamic Modeling of MgO-P2O5, MnO-P2O5 and CaO-MgO-P2O5 Systems

Thermodynamic Modeling of MgO-P2O5, MnO-P2O5 and CaO-MgO-P2O5 Systems
A Book

by Gabriel Garcia Curiel

  • Publisher : Unknown Publisher
  • Release : 2013
  • Pages : 329
  • ISBN : 9876543210XXX
  • Language : En, Es, Fr & De
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"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." --

CALPHAD (Calculation of Phase Diagrams): A Comprehensive Guide

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

by N. Saunders,A.P. Miodownik

  • Publisher : Elsevier
  • Release : 1998-06-09
  • Pages : 478
  • ISBN : 9780080528434
  • Language : En, Es, Fr & De
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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.

A Methodology for the Calculation of Phase Diagrams

A Methodology for the Calculation of Phase Diagrams
A Book

by Shuanglin Chen

  • Publisher : Unknown Publisher
  • Release : 1994
  • Pages : 426
  • ISBN : 9876543210XXX
  • Language : En, Es, Fr & De
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Critical Evaluation and Thermodynamic Modeling of High Alloy Fe-Mn-Al-Si-C-P System

Critical Evaluation and Thermodynamic Modeling of High Alloy Fe-Mn-Al-Si-C-P System
A Book

by Zhimin You

  • Publisher : Unknown Publisher
  • Release : 2020
  • Pages : 329
  • ISBN : 9876543210XXX
  • Language : En, Es, Fr & De
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"High alloy steels are attracting increasing interest among researchers because of their advanced mechanical properties, corrosion resistance, electromagnetic properties, etc. Besides, addition of light alloying elements like Al and Si into the high alloy steels can also reduce the steel weight, which has very promising application in eco-friendly automobile industry. On the other hand, introduction of the Mn in steels increases the solubility of phosphorus because of its high affinity with phosphorus. The six component Fe-Mn-Al-Si-C-P alloy system is very important for production of the advanced high strength steels and ferro alloys. In the present study, the available thermodynamic database of the Fe-Mn-Al-Si-C system was slightly revised and extended by including phosphorus to develop an accurate and self-consistent thermodynamic database of the Fe-Mn-Al-Si-C-P system using the CALculation of PHAse Diagrams (CALPHAD) method. In the present thermodynamic modeling, the liquid phase was described using the Modified Quasichemical Model (MQM) with consideration of short-range ordering in the molten alloys. Besides, appropriate geometric interpolation techniques based on the nature of involved binary systems were also introduced for each ternary solution to reduce the model parameters and improve the predictability of ternary and higher-order systems simultaneously. The solid solutions were modeled using the Compound Energy Formalism (CEF) considering the crystallographic structure of each solid solution. The thermodynamic properties of P in the liquid and solid alloys, thermodynamic stability of all intermediate phosphides, various types of phase diagrams (liquidus, solidus, isopleth diagrams, isothermal sections, liquid projections, etc.) of the Fe-Mn-Al-Si-C-P system were critically evaluated and optimized to reproduce all reliable experimental data.The behavior of P in the sub-systems of the Fe-Mn-Al-Si-C-P alloy was accurately described based on the present thermodynamic database with very small number of model parameters. The present database is compatible with other thermodynamic databases in FactSage, and can be applied to the calculation of the dephosphorization reaction of molten high alloy steels. The distribution of P between molten steel and slag at various temperatures was calculated accurately. In addition, the thermodynamic database constructed in the present study can also be used to predict unexplored phase diagrams and thermodynamic properties of the Fe-Mn-Al-Si-C-P system"--

Critical Evaluation and Thermodynamic Modeling of Mg-RE-X (X

Critical Evaluation and Thermodynamic Modeling of Mg-RE-X (X
A Book

by Junghwan Kim

  • Publisher : Unknown Publisher
  • Release : 2016
  • Pages : 329
  • ISBN : 9876543210XXX
  • Language : En, Es, Fr & De
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"Magnesium (Mg) alloys are considered as excellent structural materials owing to their light weight along with high specific strength. As for searching new and better Mg alloys, the effect of various alloying elements are currently being investigated. As well as conventional alloying elements like Al, Zn, Mn, etc., rare earth (RE) metals are excellent candidates to enhance the mechanical and chemical properties of Mg alloys. The addition of RE in the casting Mg alloys leads to enhanced strength at both ambient and elevated temperatures. High temperature stable RE compounds are often responsible for the improved creep resistance of the Mg alloys. Recently, the RE addition in the wrought Mg alloys is of great interest in automotive applications because the addition of RE results in weaker and more random textures, which can improve the formability of Mg alloys. The thermodynamic calculations, using thermodynamic database, in the evaluation of existing and potential new Mg alloys are very effective. Accordingly, the development of thermodynamic database of Mg alloys including large amount of alloying species is important to enable the thermodynamic tools to use in many practical applications with regards to Mg alloy development.In the present study, the thermodynamic database for the Mg alloys with RE metals containing Mn, Si, and Sn was developed with a critical evaluation and the optimization of the Mn-RE (13 binary), Si-RE (13 binary), and Sn-RE (13 binary) systems, and several Mg-RE-X (X = Mn, Si, and Sn) (9 ternary) systems. This is part of the development of a large thermodynamic database for the Mg alloys. In the optimizations, the systematic trends and certain similarities were observed in the phase diagrams and thermodynamic properties through the RE series. The systematics was taken into account to complete the optimizations, in particular by the appropriate predictions of the unknown thermodynamic properties. As a result, discrepancies among existing data were successfully resolved during the optimizations, and reliable thermodynamic functions for all the phases in each system were obtained even with the limited amount of experimental data. In addition, key experiments, including phase diagram determinations by differential scanning calorimetry (DSC), and enthalpy of formation measurements by solution calorimetry, were performed for the Mn-Dy system. These experiments enabled to resolve the discrepancies in available experimental data and the lack of thermodynamic information in other Mn-heavy RE systems by the systematic analysis. In the expansion to the ternary systems, the phase diagrams of the Mg-Sn-Nd and Mg-Sn-Gd systems at 500 to 700 oC were determined by the equilibration/quenching method. The existence of the ternary compounds, MgNd(Gd)Sn, MgNd(Gd)Sn2, and Mg4Nd2Sn3 was revealed with the respective phase equilibria. These new ternary phase diagram information were used for the optimization for the Mg-Sn-RE systems.As well as showing the systematics in each binary RE-X system, theoretically, the limitation of the thermodynamic models (Modified quasichemical model vs. Bragg-Williams random mixing model), and the possible reason behind the RE systematics in the enthalpy of formation, the melting temperatures of the RE compounds, etc. were discussed based on the present thermodynamic optimization.Finally, several case studies for Mg alloy evaluation and design were performed to discuss the potential applications of the present optimized thermodynamic database." --

Thermodynamic Modeling and Materials Data Engineering

Thermodynamic Modeling and Materials Data Engineering
A Book

by J.-P. Caliste,A. Truyol,Jack H. Westbrook

  • Publisher : Springer Science & Business Media
  • Release : 2012-12-06
  • Pages : 398
  • ISBN : 3642722075
  • Language : En, Es, Fr & De
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J.-P. CALISTE, A. TRUYOL AND J. WESTBROOK The Series, "Data and Knowledge in a Changing World", exemplifies CODATA's primary purpose of collecting, from widely different fields, a wealth of information on efficient exploitation of data for progress in science and technology and making that information available to scientists and engineers. A separate and complementary CODATA Reference Series will present Directories of compiled and evaluated data and Glossaries of data-related terms. The present book "Thermodynamic Modeling and Materials Data Engineering" discusses thermodynamic, structural, systemic and heuristic approaches to the modeling of complex materials behavior in condensed phases, both fluids and solids, in order to evaluate their potential applications. Itwas inspired by the Symposium on "Materials and Structural Properties" held during the 14th International CODATA Conference in Chambery, France. The quality of the contributions to this Symposium motivated us to present" a coherent book of interest to the field. Updated contributions inspired by Symposium discussions and selections from other CODATA workshops concerning material properties data and Computer Aided Design combine to highlight the complexity of material data issues on experimental, theoretical and simulation levels Articles were selected for their pertinence in three areas. Complex data leading to interesting developments and tools such as: • new developments in state equations and their applications, • prediction and validation of physical and energy data by group correlations for pure compounds, • modeling and prediction of mixture properties.

Comprehensive Nuclear Materials

Comprehensive Nuclear Materials
A Book

by Anonim

  • Publisher : Elsevier
  • Release : 2020-07-22
  • Pages : 4868
  • ISBN : 0081028660
  • Language : En, Es, Fr & De
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Materials in a nuclear environment are exposed to extreme conditions of radiation, temperature and/or corrosion, and in many cases the combination of these makes the material behavior very different from conventional materials. This is evident for the four major technological challenges the nuclear technology domain is facing currently: (i) long-term operation of existing Generation II nuclear power plants, (ii) the design of the next generation reactors (Generation IV), (iii) the construction of the ITER fusion reactor in Cadarache (France), (iv) and the intermediate and final disposal of nuclear waste. In order to address these challenges, engineers and designers need to know the properties of a wide variety of materials under these conditions and to understand the underlying processes affecting changes in their behavior, in order to assess their performance and to determine the limits of operation. Comprehensive Nuclear Materials 2e provides broad ranging, validated summaries of all the major topics in the field of nuclear material research for fission as well as fusion reactor systems. Attention is given to the fundamental scientific aspects of nuclear materials: fuel and structural materials for fission reactors, waste materials, and materials for fusion reactors. The articles are written at a level that allows undergraduate students to understand the material, while providing active researchers with a ready reference resource of information. Most of the chapters from the first Edition have been revised and updated and a significant number of new topics are covered in completely new material. During the ten years between the two editions, the challenge for applications of nuclear materials has been significantly impacted by world events, public awareness, and technological innovation. Materials play a key role as enablers of new technologies, and we trust that this new edition of Comprehensive Nuclear Materials has captured the key recent developments. Critically reviews the major classes and functions of materials, supporting the selection, assessment, validation and engineering of materials in extreme nuclear environments Comprehensive resource for up-to-date and authoritative information which is not always available elsewhere, even in journals Provides an in-depth treatment of materials modeling and simulation, with a specific focus on nuclear issues Serves as an excellent entry point for students and researchers new to the field

Coupled Thermodynamic Modeling and Experimental Study of the SnO2-SnO-CaO-SiO2 System

Coupled Thermodynamic Modeling and Experimental Study of the SnO2-SnO-CaO-SiO2 System
A Book

by Tiantian Yin

  • Publisher : Unknown Publisher
  • Release : 2018
  • Pages : 329
  • ISBN : 9876543210XXX
  • Language : En, Es, Fr & De
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"The prediction of thermodynamic properties and phase equilibria of an oxide system can play an important role in the development and understanding of metallurgical, ceramic and geological processes. The thermodynamic databases, developed by a critical evaluation and optimization of all existing thermodynamic properties and phase diagram, can help in understanding the reaction mechanism in various industrial processes and in developing new technology for various industries.As part of a large thermodynamic database development for glassmaking applications, all solid and liquid oxide phases of the Sn-Si-Ca-O system were critically evaluated and optimized in the present study. All the unary, binary and ternary systems have been critically evaluated and optimized based upon the available phase equilibrium and thermodynamic data. Particularly, the liquid solution was described by the Modified Quasichemical Model with consideration of both SnO and SnO2. Due to the lack of the phase diagram data, phase diagram experiments of the SnO2-SiO2 system were performed for the first time using the quenching method followed by Electron Probe Micro-Analysis and X-Ray Diffraction for phase identification. The optimization results of all systems in this study is self-consistent. All the thermodynamic calculations in the present study were carried out using FactSageTM thermodynamic software." --

Phase Behavior, Thermodynamic Modeling, and Fluid Microstructure in Amphiphile-oil-water Mixtures

Phase Behavior, Thermodynamic Modeling, and Fluid Microstructure in Amphiphile-oil-water Mixtures
A Book

by Peter Kelley Kilpatrick

  • Publisher : Unknown Publisher
  • Release : 1983
  • Pages : 806
  • ISBN : 9876543210XXX
  • Language : En, Es, Fr & De
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Thermitic Thermodynamics

Thermitic Thermodynamics
A Computational Survey and Comprehensive Interpretation of Over 800 Combinations of Metals, Metalloids, and Oxides

by Anthony Peter Gordon Shaw

  • Publisher : CRC Press
  • Release : 2020-05-13
  • Pages : 1068
  • ISBN : 1351056603
  • Language : En, Es, Fr & De
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Thermites, which are generally considered to be reactive mixtures of powdered metals and metal oxides, are an important subset of energetic materials. The underlying thermodynamic properties of a given mixture dictate whether it may undergo a self-sustaining reaction, liberating heat in the process. Thermodynamic information in the existing scientific literature regarding thermitic combinations is scattered and incomplete. Currently, a comprehensive overview of this nature would be of great use to those working in the areas of pyrotechnics, pyrometallurgy, high-temperature chemistry, and materials science. Thermitic Thermodynamics solves this problem by describing the results of calculations on over 800 combinations of metal, metalloid, and metal oxide reactants. Other features include: A first-of-its-kind adiabatic survey of binary thermitic reactions Provides an overview of key trends in exothermic metal-metal oxide reactivity Describes the role of non-oxide product formation in thermitic systems Explains how to interpret the results of thermochemical calculations effectively An invaluable resource, this book provides an accessible introduction for students and is also an enduring guide for professionals.

Phase Equilibria Diagrams of High-Temperature Non-oxide Ceramics

Phase Equilibria Diagrams of High-Temperature Non-oxide Ceramics
A Book

by Zhenkun Huang,Laner Wu

  • Publisher : Springer
  • Release : 2018-06-07
  • Pages : 166
  • ISBN : 9811304637
  • Language : En, Es, Fr & De
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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 Modeling and Experimental Investigation of the Al-Cu-Mg-Zn Quaternary System

Thermodynamic Modeling and Experimental Investigation of the Al-Cu-Mg-Zn Quaternary System
A Book

by Haiyan Liang

  • Publisher : Unknown Publisher
  • Release : 1998
  • Pages : 420
  • ISBN : 9876543210XXX
  • Language : En, Es, Fr & De
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Thermodynamic Modeling of Geologic Materials

Thermodynamic Modeling of Geologic Materials
Minerals, Fluids, and Melts

by Ian S. E. Carmichael,Hans Eugster

  • Publisher : Walter de Gruyter GmbH & Co KG
  • Release : 2018-12-17
  • Pages : 513
  • ISBN : 1501508954
  • Language : En, Es, Fr & De
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Volume 17 of Reviews in Mineralogy is based on a short course, entitled "Thermodynamic Modeling of Geological Materials: Minerals, Fluids amd Melts," October 22-25, 1987, at the Wickenburg Inn near Phoenix, Arizona. Contents: Thermodynamic Analysis of Phase Equilibria in Simple Mineral Systems Models of Crystalline solutions Thermodynamics of Multicomponent Systems Containing Several Solid Solutions Thermodynamic Model for Aqueous Solutions of Liquid-like Density Models of Mineral Solubility in Concentrated Brines with Application to Field Observations Calculation of the Thermodynamic Properties of Aqueous Species and the Solubilities of Minerals in Supercritical Electrolyte Solutions Igneous Fluids Ore Fluids: Magmatic to Supergene Thermodynamic Models of Molecular Fluids at the Elevated Pressures and Temperatures of Crustal Metamorphism Mineral Solubilities and Speciation in Supercritical Metamorphic Fluids Development of Models for Multicomponent Melts: Analysis of Synthetic Systems Modeling Magmatic Systems: Thermodynamic Relations Modeling Magmatic Systems: Petrologic Applications