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Thermodynamic Modeling Of Solid Phases
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Book Synopsis Thermodynamic Modeling of Solid Phases by : Michel Soustelle
Download or read book Thermodynamic Modeling of Solid Phases written by Michel Soustelle and published by John Wiley & Sons. This book was released on 2015-08-26 with total page 264 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book offers advanced students, in 7 volumes, successively characterization tools phases, the study of all types of phase, liquid, gas and solid, pure or multi-component, process engineering, chemical and electrochemical equilibria, the properties of surfaces and phases of small sizes. Macroscopic and microscopic models are in turn covered with a constant correlation between the two scales. Particular attention is given to the rigor of mathematical developments. This book focuses on solid phases.
Book Synopsis Phase Diagrams and Thermodynamic Modeling of Solutions by : Arthur D. Pelton
Download or read book Phase Diagrams and Thermodynamic Modeling of Solutions written by Arthur D. Pelton and published by Academic Press. This book was released on 2018-09-19 with total page 404 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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
Book Synopsis Thermodynamic Modeling and Materials Data Engineering by : J.-P. Caliste
Download or read book Thermodynamic Modeling and Materials Data Engineering written by J.-P. Caliste and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 406 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Book Synopsis Select Thermodynamic Models for Process Simulation by : Jean-Charles de Hemptinne
Download or read book Select Thermodynamic Models for Process Simulation written by Jean-Charles de Hemptinne and published by Editions TECHNIP. This book was released on 2012 with total page 418 pages. Available in PDF, EPUB and Kindle. Book excerpt: The selection of the most adequate thermodynamic model in a process simulation is an issue that most process engineer has to face sooner or later. This book, conceived as a practical guide, aims at providing adequate answers by analysing the questions to be looked at. The analysis (first chapter) yields three keys that are further discussed in three different chapters. (1) A good understanding of the properties required in the process, and their method of calculation is the first key. The second chapter provides to that end in a synthetic manner the most important equations that are derived from the fundamental principes of thermodynamics. (2) An adequate description of the mixture, which is a combination of models and parameters, is the second key. The third chapter makes the link between components and models, both from a numerical (parameterisation) and physical (molecular interactions) point of view. Finally, (3) a correct view of the phase behaviour and trends in regard of the process conditions is the third key. The fourth chapter illustrates the phase behaviour and makes model recommendations for the most significant industrial systems. A decision tree is provided at the end of this chapter. In the last chapter, the key questions are reviewed for a number of typical processes. This book is intended for process engineers, who are not specialists of thermodynamics but are confronted with this kind of problems and need a reference book, as well as process engineering students who will find an original approach to thermodynamics, complementary of traditional lectures
Book Synopsis Thermodynamic Data, Models, and Phase Diagrams in Multicomponent Oxide Systems by : Olga Fabrichnaya
Download or read book Thermodynamic Data, Models, and Phase Diagrams in Multicomponent Oxide Systems written by Olga Fabrichnaya and published by Springer Science & Business Media. This book was released on 2004-01-12 with total page 236 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Book Synopsis Thermodynamic Modeling of Geologic Materials by : Ian S. E. Carmichael
Download or read book Thermodynamic Modeling of Geologic Materials written by Ian S. E. Carmichael and published by Walter de Gruyter GmbH & Co KG. This book was released on 2018-12-17 with total page 516 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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
Book Synopsis Thermodynamic Properties of Solids by : S. L. Chaplot
Download or read book Thermodynamic Properties of Solids written by S. L. Chaplot and published by John Wiley & Sons. This book was released on 2010-02-19 with total page 342 pages. Available in PDF, EPUB and Kindle. Book excerpt: Recent years have seen a growing interest in the field of thermodynamic properties of solids due to the development of advanced experimental and modeling tools. Predicting structural phase transitions and thermodynamic properties find important applications in condensed matter and materials science research, as well as in interdisciplinary research involving geophysics and Earth Sciences. The present edited book, with contributions from leading researchers around the world, is aimed to meet the need of academic and industrial researchers, graduate students and non-specialists working in these fields. The book covers various experimental and theoretical techniques relevant to the subject.
Book Synopsis Thermodynamic Models for Chemical Engineering by : Jean-Noel Jaubert
Download or read book Thermodynamic Models for Chemical Engineering written by Jean-Noel Jaubert and published by Elsevier. This book was released on 2021-06-25 with total page 198 pages. Available in PDF, EPUB and Kindle. Book excerpt: Thermodynamic Models for Chemical Engineering gives an overview of the main thermodynamic models used by engineers and in engineering researcher processes. These fall into two main families, equations of state and activity coefficient models. The book presents the state-of-the-art of purely predictive models. Presents a comprehensive overview of the main thermodynamic models Explains their theoretical base Gives detailed methods to estimate model parameters
Book Synopsis Computational Thermodynamics of Materials by : Zi-Kui Liu
Download or read book Computational Thermodynamics of Materials written by Zi-Kui Liu and published by Cambridge University Press. This book was released on 2016-06-30 with total page 261 pages. Available in PDF, EPUB and Kindle. Book excerpt: Integrates fundamental concepts with experimental data and practical applications, including worked examples and end-of-chapter problems.
Book Synopsis Materials Science and Engineering by : S.K. Saxena
Download or read book Materials Science and Engineering written by S.K. Saxena and published by Elsevier Inc. Chapters. This book was released on 2013-07-10 with total page 42 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Book Synopsis Thermodynamic Modeling and Experimental Investigation of the Mo-Si-B-Ti Quaternary System by : Ying Yang
Download or read book Thermodynamic Modeling and Experimental Investigation of the Mo-Si-B-Ti Quaternary System written by Ying Yang and published by . This book was released on 2004 with total page 198 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Thermodynamic Modeling of MgO-P2O5, MnO-P2O5 and CaO-MgO-P2O5 Systems by : Gabriel Garcia Curiel
Download or read book Thermodynamic Modeling of MgO-P2O5, MnO-P2O5 and CaO-MgO-P2O5 Systems written by Gabriel Garcia Curiel and published by . This book was released on 2013 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: "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." --
Book Synopsis The Diffuse Interface Approach in Materials Science by : Heike Emmerich
Download or read book The Diffuse Interface Approach in Materials Science written by Heike Emmerich and published by Springer Science & Business Media. This book was released on 2004-06-17 with total page 182 pages. Available in PDF, EPUB and Kindle. Book excerpt: The book is devoted to the application of phase-field (diffuse interface) models in materials science. Phase-field modeling emerged only recently as a theoretical approach to tackle questions concerning the evolution of materials microstructure, the relation between microstructure and materials properties and the transformation and evolution of different phases. This volume brings together the essential thermodynamic ideas as well as the essential mathematical tools to derive phase-field model equations. Starting from an elementary level such that any graduate student familiar with the basic concepts of partial differential equations can follow, it shows how advances in the field of phase-field modeling will come from a combination of thermodynamic, mathematical and computational tools. Also included are two extensive examples of the application of phase-field models in materials science.
Book Synopsis Materials Thermodynamics by : Y. Austin Chang
Download or read book Materials Thermodynamics written by Y. Austin Chang and published by John Wiley & Sons. This book was released on 2009-12-07 with total page 325 pages. Available in PDF, EPUB and Kindle. Book excerpt: A timely, applications-driven text in thermodynamics Materials Thermodynamics provides both students and professionals with the in-depth explanation they need to prepare for the real-world application of thermodynamic tools. Based upon an actual graduate course taught by the authors, this class-tested text covers the subject with a broader, more industry-oriented lens than can be found in any other resource available. This modern approach: Reflects changes rapidly occurring in society at large—from the impact of computers on the teaching of thermodynamics in materials science and engineering university programs to the use of approximations of higher order than the usual Bragg-Williams in solution-phase modeling Makes students aware of the practical problems in using thermodynamics Emphasizes that the calculation of the position of phase and chemical equilibrium in complex systems, even when properly defined, is not easy Relegates concepts like equilibrium constants, activity coefficients, free energy functions, and Gibbs-Duhem integrations to a relatively minor role Includes problems and exercises, as well as a solutions manual This authoritative text is designed for students and professionals in materials science and engineering, particularly those in physical metallurgy, metallic materials, alloy design and processing, corrosion, oxidation, coatings, and high-temperature alloys.
Book Synopsis Computational Materials Engineering by : Koenraad George Frans Janssens
Download or read book Computational Materials Engineering written by Koenraad George Frans Janssens and published by Academic Press. This book was released on 2010-07-26 with total page 359 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computational Materials Engineering is an advanced introduction to the computer-aided modeling of essential material properties and behavior, including the physical, thermal and chemical parameters, as well as the mathematical tools used to perform simulations. Its emphasis will be on crystalline materials, which includes all metals. The basis of Computational Materials Engineering allows scientists and engineers to create virtual simulations of material behavior and properties, to better understand how a particular material works and performs and then use that knowledge to design improvements for particular material applications. The text displays knowledge of software designers, materials scientists and engineers, and those involved in materials applications like mechanical engineers, civil engineers, electrical engineers, and chemical engineers. Readers from students to practicing engineers to materials research scientists will find in this book a single source of the major elements that make up contemporary computer modeling of materials characteristics and behavior. The reader will gain an understanding of the underlying statistical and analytical tools that are the basis for modeling complex material interactions, including an understanding of computational thermodynamics and molecular kinetics; as well as various modeling systems. Finally, the book will offer the reader a variety of algorithms to use in solving typical modeling problems so that the theory presented herein can be put to real-world use. Balanced coverage of fundamentals of materials modeling, as well as more advanced aspects of modeling, such as modeling at all scales from the atomic to the molecular to the macro-material Concise, yet rigorous mathematical coverage of such analytical tools as the Potts type Monte Carlo method, cellular automata, phase field, dislocation dynamics and Finite Element Analysis in statistical and analytical modeling
Book Synopsis Thermodynamic Models by : Michael L. Michelsen
Download or read book Thermodynamic Models written by Michael L. Michelsen and published by . This book was released on 2007 with total page 382 pages. Available in PDF, EPUB and Kindle. Book excerpt:
