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Author : J. P. Caliste,A. Truyol,Jack H Westbrook
Publisher : Unknown
Page : 412 pages
File Size : 49,9 Mb
Release : 1998-09-17
Category : Electronic
ISBN : 3642722083
Author : J.-P. Caliste,A. Truyol,Jack H. Westbrook
Publisher : Springer
Page : 416 pages
File Size : 45,9 Mb
Release : 1998-09-17
Category : Science
ISBN : UOM:39015043773863
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.
Author : J.-P. Caliste,A. Truyol,Jack H. Westbrook
Publisher : Springer Science & Business Media
Page : 406 pages
File Size : 46,6 Mb
Release : 2012-12-06
Category : Technology & Engineering
ISBN : 9783642722073
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.
Author : Arthur D. Pelton
Publisher : Academic Press
Page : 401 pages
File Size : 43,7 Mb
Release : 2018-09-19
Category : Science
ISBN : 9780128016695
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
Author : Y. Austin Chang,W. Alan Oates
Publisher : John Wiley & Sons
Page : 317 pages
File Size : 47,5 Mb
Release : 2010-01-26
Category : Science
ISBN : 9780470549957
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.
Author : S.K. Saxena
Publisher : Elsevier Inc. Chapters
Page : 542 pages
File Size : 41,5 Mb
Release : 2013-07-10
Category : Technology & Engineering
ISBN : 9780128059418
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.
Author : Zi-Kui Liu,Yi Wang
Publisher : Cambridge University Press
Page : 261 pages
File Size : 45,6 Mb
Release : 2016-06-30
Category : Technology & Engineering
ISBN : 9781316552711
This unique and comprehensive introduction offers an unrivalled and in-depth understanding of the computational-based thermodynamic approach and how it can be used to guide the design of materials for robust performances, integrating basic fundamental concepts with experimental techniques and practical industrial applications, to provide readers with a thorough grounding in the subject. Topics covered range from the underlying thermodynamic principles, to the theory and methodology of thermodynamic data collecting, analysis, modeling, and verification, with details on free energy, phase equilibrium, phase diagrams, chemical reactions, and electrochemistry. In thermodynamic modelling, the authors focus on the CALPHAD method and first-principles calculations. They also provide guidance for use of YPHON, a mixed-space phonon code developed by the authors for polar materials based on the supercell approach. Including worked examples, case studies, and end-of-chapter problems, this is an essential resource for students, researchers, and practitioners in materials science.
Author : Robert DeHoff
Publisher : CRC Press
Page : 622 pages
File Size : 40,5 Mb
Release : 2006-03-13
Category : Technology & Engineering
ISBN : 9780849340659
Thermodynamics in Materials Science, Second Edition is a clear presentation of how thermodynamic data is used to predict the behavior of a wide range of materials, a crucial component in the decision-making process for many materials science and engineering applications. This primary textbook accentuates the integration of principles, strategies, and thermochemical data to generate accurate “maps” of equilibrium states, such as phase diagrams, predominance diagrams, and Pourbaix corrosion diagrams. It also recommends which maps are best suited for specific real-world scenarios and thermodynamic problems. The second edition yet. Each chapter presents its subject matter consistently, based on the classification of thermodynamic systems, properties, and derivations that illustrate important relationships among variables for finding the conditions for equilibrium. Each chapter also contains a summary of important concepts and relationships as well as examples and sample problems that apply appropriate strategies for solving real-world problems. The up-to-date and complete coverage ofthermodynamic data, laws, definitions, strategies, and tools in Thermodynamics in Materials Science, Second Edition provides students and practicing engineers a valuable guide for producing and applying maps of equilibrium states to everyday applications in materials sciences.
Author : Holm Altenbach,Jacek J. Skrzypek
Publisher : Springer
Page : 354 pages
File Size : 48,9 Mb
Release : 2014-05-04
Category : Technology & Engineering
ISBN : 9783709125069
This textbook gives a concise survey of constitutive and structural modeling for high temperature creep, damage, low – cycle fatigue and other inelastic conditions. The book shows the creep and continuum damage mechanics as rapidly developing discipline which interlinks the material science foundations, the constitutive modeling and computer simulation application to analysis and design of simple engineering components. It is addressed to young researchers and scientists working in the field of mechanics of inelastic, time-dependent materials and structures, as well as to PhD students in computational mechanics, material sciences, mechanical and civil engineering.
Author : Qing Jiang,Zi Wen
Publisher : Springer Science & Business Media
Page : 312 pages
File Size : 44,5 Mb
Release : 2011-05-30
Category : Technology & Engineering
ISBN : 9783642147180
"Thermodynamics of Materials" introduces the basic underlying principles of thermodynamics as well as their applicability to the behavior of all classes of materials, while providing an integrated approach from macro- (or classical) thermodynamics to meso- and nanothermodynamics, and microscopic (or statistical) thermodynamics. The book is intended for scientists, engineers and graduate students in all fields involving materials science-related disciplines. Both Dr. Qing Jiang and Dr. Zi Wen are professors at Jilin University.
Author : Anonim
Publisher : Elsevier
Page : 4609 pages
File Size : 41,8 Mb
Release : 2017-06-03
Category : Technology & Engineering
ISBN : 9780128032015
Comprehensive Medicinal Chemistry III, Eight Volume Set provides a contemporary and forward-looking critical analysis and summary of recent developments, emerging trends, and recently identified new areas where medicinal chemistry is having an impact. The discipline of medicinal chemistry continues to evolve as it adapts to new opportunities and strives to solve new challenges. These include drug targeting, biomolecular therapeutics, development of chemical biology tools, data collection and analysis, in silico models as predictors for biological properties, identification and validation of new targets, approaches to quantify target engagement, new methods for synthesis of drug candidates such as green chemistry, development of novel scaffolds for drug discovery, and the role of regulatory agencies in drug discovery. Reviews the strategies, technologies, principles, and applications of modern medicinal chemistry Provides a global and current perspective of today's drug discovery process and discusses the major therapeutic classes and targets Includes a unique collection of case studies and personal assays reviewing the discovery and development of key drugs
Author : Mark F. Horstemeyer
Publisher : John Wiley & Sons
Page : 688 pages
File Size : 47,8 Mb
Release : 2018-02-23
Category : Technology & Engineering
ISBN : 9781119018391
Focuses entirely on demystifying the field and subject of ICME and provides step-by-step guidance on its industrial application via case studies This highly-anticipated follow-up to Mark F. Horstemeyer’s pedagogical book on Integrated Computational Materials Engineering (ICME) concepts includes engineering practice case studies related to the analysis, design, and use of structural metal alloys. A welcome supplement to the first book—which includes the theory and methods required for teaching the subject in the classroom—Integrated Computational Materials Engineering (ICME) For Metals: Concepts and Case Studies focuses on engineering applications that have occurred in industries demonstrating the ICME methodologies, and aims to catalyze industrial diffusion of ICME technologies throughout the world. The recent confluence of smaller desktop computers with enhanced computing power coupled with the emergence of physically-based material models has created the clear trend for modeling and simulation in product design, which helped create a need to integrate more knowledge into materials processing and product performance. Integrated Computational Materials Engineering (ICME) For Metals: Case Studies educates those seeking that knowledge with chapters covering: Body Centered Cubic Materials; Designing An Interatomic Potential For Fe-C Alloys; Phase-Field Crystal Modeling; Simulating Dislocation Plasticity in BCC Metals by Integrating Fundamental Concepts with Macroscale Models; Steel Powder Metal Modeling; Hexagonal Close Packed Materials; Multiscale Modeling of Pure Nickel; Predicting Constitutive Equations for Materials Design; and more. Presents case studies that connect modeling and simulation for different materials' processing methods for metal alloys Demonstrates several practical engineering problems to encourage industry to employ ICME ideas Introduces a new simulation-based design paradigm Provides web access to microstructure-sensitive models and experimental database Integrated Computational Materials Engineering (ICME) For Metals: Case Studies is a must-have book for researchers and industry professionals aiming to comprehend and employ ICME in the design and development of new materials.
Author : Jürgen Gmehling,Bärbel Kolbe,Michael Kleiber
Publisher : John Wiley & Sons
Page : 763 pages
File Size : 53,9 Mb
Release : 2012-03-26
Category : Science
ISBN : 9783527312771
This is the only book to apply thermodynamics to real-world process engineering problems, explaining the thermodynamics behind simulations from the view of academic and industrial authors to users of simulation programs. It comprises numerous solved examples, which simplify the understanding of the often complex calculation procedures, and discusses their advantages and disadvantages. The text also includes such special models as for formaldehyde, polymers, and associating compounds. Estimation methods for thermophysical properties and phase equilibria and thermodynamics of alternative separation processes are covered, as are new developments from recent years. For a deeper understanding additional problems are given at the end of each chapter. To solve the complex problems prepared Mathcad files, Excel files or the DDBSP Explorer version can be accessed via the Internet. While written for an advanced level, the text is easy to understand for every chemical engineer and chemist with a basic education in thermodynamics and phase equilibria, teaching students the engineering perspective of thermodynamics but also of interest to all companies active in chemistry, pharmacy, oil and gas processing, petrochemistry, refinery, food production, environmental protection and engineering.
Author : Christo Boyadjiev
Publisher : Springer Nature
Page : 206 pages
File Size : 45,8 Mb
Release : 2021-12-08
Category : Science
ISBN : 9783030876609
This book presents a theoretical analysis of the modern methods used for modeling various chemical engineering processes. Currently, the two primary problems in the chemical industry are the optimal design of new devices and the optimal control of active processes. Both of these problems are often solved by developing new methods of modeling. These methods for modeling specific processes may be different, but in all cases, they bring the mathematical description closer to the real processes by using appropriate experimental data. In this book, the authors detail a new approach for the modeling of chemical processes in column apparatuses. Further, they describe the types of neural networks that have been shown to be effective in solving important chemical engineering problems. Readers are also presented with mathematical models of integrated bioethanol supply chains (IBSC) that achieve improved economic and environmental sustainability. The integration of energy and mass processes is one of the most powerful tools for creating sustainable and energy efficient production systems. This book defines the main approaches for the thermal integration of periodic processes, direct and indirect, and the recent integration of small-scale solar thermal dryers with phase change materials as energy accumulators. An exciting overview of new approaches for the modeling of chemical engineering processes, this book serves as a guide for the important innovations being made in theoretical chemical engineering.
Author : J. P. O'Connell,J. M. Haile
Publisher : Cambridge University Press
Page : 680 pages
File Size : 54,7 Mb
Release : 2005-05-16
Category : Technology & Engineering
ISBN : 1139443178
Thermodynamics: Fundamentals and Applications is a 2005 text for a first graduate course in Chemical Engineering. The focus is on macroscopic thermodynamics; discussions of modeling and molecular situations are integrated throughout. Underpinning this text is the knowledge that while thermodynamics describes natural phenomena, those descriptions are the products of creative, systematic minds. Nature unfolds without reference to human concepts of energy, entropy, or fugacity. Natural complexity can be organized and studied by thermodynamics methodology. The power of thermodynamics can be used to advantage if the fundamentals are understood. This text's emphasis is on fundamentals rather than modeling. Knowledge of the basics will enhance the ability to combine them with models when applying thermodynamics to practical situations. While the goal of an engineering education is to teach effective problem solving, this text never forgets the delight of discovery, the satisfaction of grasping intricate concepts, and the stimulation of the scholarly atmosphere.
