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Advances In Chemical Modeling Volume 4
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Book Synopsis Advances in Chemical Modeling. Volume 4 by : Mihai V. Putz
Download or read book Advances in Chemical Modeling. Volume 4 written by Mihai V. Putz and published by Nova Science Publishers. This book was released on 2013-09 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book contains world-class chapters in the fields of: Structural Physical Chemistry: Treating the Bose-Einstein condensate at the chemical interacting level of Kohn-Sham systems, modern inequality regarding pi-electronic energy, periodicity or diatomics, modelling the atomic structure in geometrical superior dimensional space, algebraic chemistry of reactivity, chemical reactivity within conceptual density functional theory (DFT); Structural Computational Chemistry: Covering theoretical studies of organic molecules in ground and excited states while modelling conformation, specific rotation, intra-molecular proton transfer, nucleophilic substitution, DFT algorithms; Modelling Experimental Chemistry: Studying the macroscopic and experimental influences on microscopic structure, spin transitions, triplet states, kinetics of detonation at molecular level, chemical kinetics and thermal decomposition; Structural Mathematical Chemistry: Approaches topological studies of extended systems: fullerenes, nanotubes, schwarzites, to the graphs characterisation by connectivity and topological indices modelling chemical reactivity; Structural Biological Chemistry: Modeling amino-acids and proteins interaction and behaviour in chemical bonding of bio-molecules; Computational Toxicology and Ecotoxicology: Describing the in silico relationship between the chemical structure and biological activity in various in vitro and in vivo environments; Modelling Environmental Chemistry: Explaining the macro-climate and pollution dynamics by recording and correlating of micro-behaviour on mapped ecological systems and physical territories; Educational Chemistry and Related Physical Sciences: Provides the enlighten connection between various models in chemistry and allied disciplines by innovative comparisons, changing classical or consecrated perspectives and principles, critically extending of the applicability domains of chemical models and interactions.
Download or read book Fuel Cell Engineering written by and published by Academic Press. This book was released on 2012-08-14 with total page 481 pages. Available in PDF, EPUB and Kindle. Book excerpt: Fuel cells are attractive electrochemical energy converters featuring potentially very high thermodynamic efficiency factors. The focus of this volume of Advances in Chemical Engineering is on quantitative approaches, particularly based on chemical engineering principles, to analyze, control and optimize the steady state and dynamic behavior of low and high temperature fuel cells (PEMFC, DMFC, SOFC) to be applied in mobile and stationary systems. Updates and informs the reader on the latest research findings using original reviews Written by leading industry experts and scholars Reviews and analyzes developments in the field
Book Synopsis Advances in Chemical Modeling by : Mihai V. Putz
Download or read book Advances in Chemical Modeling written by Mihai V. Putz and published by Nova Science Publishers. This book was released on 2011 with total page 480 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Advanced Data Analysis and Modelling in Chemical Engineering by : Denis Constales
Download or read book Advanced Data Analysis and Modelling in Chemical Engineering written by Denis Constales and published by Elsevier. This book was released on 2016-08-23 with total page 416 pages. Available in PDF, EPUB and Kindle. Book excerpt: Advanced Data Analysis and Modeling in Chemical Engineering provides the mathematical foundations of different areas of chemical engineering and describes typical applications. The book presents the key areas of chemical engineering, their mathematical foundations, and corresponding modeling techniques. Modern industrial production is based on solid scientific methods, many of which are part of chemical engineering. To produce new substances or materials, engineers must devise special reactors and procedures, while also observing stringent safety requirements and striving to optimize the efficiency jointly in economic and ecological terms. In chemical engineering, mathematical methods are considered to be driving forces of many innovations in material design and process development. Presents the main mathematical problems and models of chemical engineering and provides the reader with contemporary methods and tools to solve them Summarizes in a clear and straightforward way, the contemporary trends in the interaction between mathematics and chemical engineering vital to chemical engineers in their daily work Includes classical analytical methods, computational methods, and methods of symbolic computation Covers the latest cutting edge computational methods, like symbolic computational methods
Book Synopsis Advances in Chemical Engineering by :
Download or read book Advances in Chemical Engineering written by and published by Academic Press. This book was released on 2009-06-29 with total page 375 pages. Available in PDF, EPUB and Kindle. Book excerpt: The cross-fertilization of physico-chemical and mathematical ideas has a long historical tradition. This volume of Advances in Chemical Engineering is almost completely dedicated to a conference on “Mathematics in Chemical Kinetics and Engineering (MaCKiE-2007), which was held in Houston in February 2007, bringing together about 40 mathematicians, chemists, and chemical engineers from 10 countries to discuss the application and development of mathematical tools in their respective fields. Updates and informs the reader on the latest research findings using original reviews Written by leading industry experts and scholars Reviews and analyzes developments in the field
Book Synopsis Advances in Chemical Physics, Volume 4 by : Ilya Prigogine
Download or read book Advances in Chemical Physics, Volume 4 written by Ilya Prigogine and published by John Wiley & Sons. This book was released on 2009-09-08 with total page 412 pages. Available in PDF, EPUB and Kindle. Book excerpt: The Advances in Chemical Physics series provides the chemical physics and physical chemistry fields with a forum for critical, authoritative evaluations of advances in every area of the discipline. Filled with cutting-edge research reported in a cohesive manner not found elsewhere in the literature, each volume of the Advances in Chemical Physics series serves as the perfect supplement to any advanced graduate class devoted to the study of chemical physics.
Book Synopsis Advances in Chemical Modeling by : Mihai V. Putz
Download or read book Advances in Chemical Modeling written by Mihai V. Putz and published by Nova Science Publishers. This book was released on 2012 with total page 496 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Chemical Modelling by : Alan Hinchliffe
Download or read book Chemical Modelling written by Alan Hinchliffe and published by Royal Society of Chemistry. This book was released on 2007-10-31 with total page 543 pages. Available in PDF, EPUB and Kindle. Book excerpt: Chemical Modelling: Applications and Theory comprises critical literature reviews of molecular modelling, both theoretical and applied. Molecular modelling in this context refers to modelling the structure, properties and reactions of atoms, molecules & materials. Each chapter is compiled by experts in their fields and provides a selective review of recent literature. With chemical modelling covering such a wide range of subjects, this Specialist Periodical Report serves as the first port of call to any chemist, biochemist, materials scientist or molecular physicist needing to acquaint themselves of major developments in the area. Specialist Periodical Reports provide systematic and detailed review coverage in major areas of chemical research. Compiled by teams of leading authorities in the relevant subject areas, the series creates a unique service for the active research chemist, with regular, in-depth accounts of progress in particular fields of chemistry. Subject coverage within different volumes of a given title is similar and publication is on an annual or biennial basis. Current subject areas covered are Amino Acids, Peptides and Proteins, Carbohydrate Chemistry, Catalysis, Chemical Modelling. Applications and Theory, Electron Paramagnetic Resonance, Nuclear Magnetic Resonance, Organometallic Chemistry. Organophosphorus Chemistry, Photochemistry and Spectroscopic Properties of Inorganic and Organometallic Compounds. From time to time, the series has altered according to the fluctuating degrees of activity in the various fields, but these volumes remain a superb reference point for researchers.
Book Synopsis Applied Chemistry and Chemical Engineering, Volume 4 by : A. K. Haghi
Download or read book Applied Chemistry and Chemical Engineering, Volume 4 written by A. K. Haghi and published by CRC Press. This book was released on 2017-12-22 with total page 370 pages. Available in PDF, EPUB and Kindle. Book excerpt: Applied Chemistry and Chemical Engineering, Volume 4: Experimental Techniques and Methodical Developments provides a detailed yet easy-to-follow treatment of various techniques useful for characterizing the structure and properties of engineering materials. This timely volume provides an overview of new methods and presents experimental research in applied chemistry using modern approaches. Each chapter describes the principle of the respective method as well as the detailed procedures of experiments with examples of actual applications and then goes on to demonstrate the advantage and disadvantages of each physical technique. Thus, readers will be able to apply the concepts as described in the book to their own experiments. The book is broken into several subsections: Polymer Chemistry and Technology Computational Approaches Clinical Chemistry and Bioinformatics Special Topics This volume presents research and reviews and information on implementing and sustaining interdisciplinary studies in science, technology, engineering, and mathematics.
Book Synopsis Advances in Chemical Modeling by : Mihai V. Putz
Download or read book Advances in Chemical Modeling written by Mihai V. Putz and published by Nova Science Publishers. This book was released on 2011-04 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: This text presents and discusses current research in the study of chemical modelling. Topics discussed include chemical action and the transition state reactivity; algebraic chemistry of catalysis; solid-state polymerisation kinetics; fractal features of proteins structure and dynamics; and more.
Book Synopsis Applied Chemistry and Chemical Engineering, Volume 4 by : A. K. Haghi
Download or read book Applied Chemistry and Chemical Engineering, Volume 4 written by A. K. Haghi and published by CRC Press. This book was released on 2017-12-22 with total page 396 pages. Available in PDF, EPUB and Kindle. Book excerpt: Applied Chemistry and Chemical Engineering, Volume 4: Experimental Techniques and Methodical Developments provides a detailed yet easy-to-follow treatment of various techniques useful for characterizing the structure and properties of engineering materials. This timely volume provides an overview of new methods and presents experimental research in applied chemistry using modern approaches. Each chapter describes the principle of the respective method as well as the detailed procedures of experiments with examples of actual applications and then goes on to demonstrate the advantage and disadvantages of each physical technique. Thus, readers will be able to apply the concepts as described in the book to their own experiments. The book is broken into several subsections: Polymer Chemistry and Technology Computational Approaches Clinical Chemistry and Bioinformatics Special Topics This volume presents research and reviews and information on implementing and sustaining interdisciplinary studies in science, technology, engineering, and mathematics.
Book Synopsis Process Modelling and Model Analysis by : Ian T. Cameron
Download or read book Process Modelling and Model Analysis written by Ian T. Cameron and published by Elsevier. This book was released on 2001-05-23 with total page 561 pages. Available in PDF, EPUB and Kindle. Book excerpt: Process Modelling and Model Analysis describes the use of models in process engineering. Process engineering is all about manufacturing--of just about anything! To manage processing and manufacturing systematically, the engineer has to bring together many different techniques and analyses of the interaction between various aspects of the process. For example, process engineers would apply models to perform feasibility analyses of novel process designs, assess environmental impact, and detect potential hazards or accidents. To manage complex systems and enable process design, the behavior of systems is reduced to simple mathematical forms. This book provides a systematic approach to the mathematical development of process models and explains how to analyze those models. Additionally, there is a comprehensive bibliography for further reading, a question and answer section, and an accompanying Web site developed by the authors with additional data and exercises. Introduces a structured modeling methodology emphasizing the importance of the modeling goal and including key steps such as model verification, calibration, and validation Focuses on novel and advanced modeling techniques such as discrete, hybrid, hierarchical, and empirical modeling Illustrates the notions, tools, and techniques of process modeling with examples and advances applications
Book Synopsis Process Modeling and Simulation for Chemical Engineers by : Simant R. Upreti
Download or read book Process Modeling and Simulation for Chemical Engineers written by Simant R. Upreti and published by John Wiley & Sons. This book was released on 2017-05-01 with total page 362 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book provides a rigorous treatment of the fundamental concepts and techniques involved in process modeling and simulation. The book allows the reader to: (i) Get a solid grasp of “under-the-hood” mathematical results (ii) Develop models of sophisticated processes (iii) Transform models to different geometries and domains as appropriate (iv) Utilize various model simplification techniques (v) Learn simple and effective computational methods for model simulation (vi) Intensify the effectiveness of their research Modeling and Simulation for Chemical Engineers: Theory and Practice begins with an introduction to the terminology of process modeling and simulation. Chapters 2 and 3 cover fundamental and constitutive relations, while Chapter 4 on model formulation builds on these relations. Chapters 5 and 6 introduce the advanced techniques of model transformation and simplification. Chapter 7 deals with model simulation, and the final chapter reviews important mathematical concepts. Presented in a methodical, systematic way, this book is suitable as a self-study guide or as a graduate reference, and includes examples, schematics and diagrams to enrich understanding. End of chapter problems with solutions and computer software available online at www.wiley.com/go/upreti/pms_for_chemical_engineers are designed to further stimulate readers to apply the newly learned concepts.
Book Synopsis Lattice Boltzmann Modeling for Chemical Engineering by :
Download or read book Lattice Boltzmann Modeling for Chemical Engineering written by and published by Academic Press. This book was released on 2020-06-25 with total page 314 pages. Available in PDF, EPUB and Kindle. Book excerpt: Lattice Boltzmann Modeling for Chemical Engineering, Volume 56 in the Advances in Chemical Engineering series, highlights new advances in the field, with this new volume presenting interesting chapters on Simulations of homogeneous and heterogeneous chemical reactions, LBM for 3D Chemical Reactors, LBM Simulations of PEM fuel cells, LBM for separation processes, LBM for two-phase flow (bio)reactors, and more. Provides the authority and expertise of leading contributors from an international board of authors Presents the latest release in the Advances in Chemical Engineering series Includes the latest information on Lattice Boltzmann Modeling for Chemical Engineering
Book Synopsis Multiscale Modelling of Polymer Properties by : E. Perpète
Download or read book Multiscale Modelling of Polymer Properties written by E. Perpète and published by Elsevier. This book was released on 2006-11-18 with total page 425 pages. Available in PDF, EPUB and Kindle. Book excerpt: Modelling in polymer materials science has experienced a dramatic growth in the last two decades. Advances in modeling methodologies together with rapid growth in computational power have made it possible to address increasingly complex questions both of a fundamental and of a more applied nature.Multiscale Modelling of Polymer Properties assembles research done on modeling of polymeric materials from a hierarchical point of view, in which several methods are combined in a multilevel approach to complex polymeric materials. Contributions from academic and industrial experts are organized in two parts: the first one addresses the methodological aspects while the second one focuses on specific applications. The book aims at comprehensively assessing the current state of the field, including the strengths and shortcomings of available modelling techniques, and at identifying future needs and trends. * Several levels of approximation to the field of polymer modelling; ranging from first-principles to purely macroscopic * Contributions from both academic and industrial experts with varying fields of expertise* Assesses current state of this emerging and rapidly growing field
Book Synopsis Beyond the Molecular Frontier by : National Research Council
Download or read book Beyond the Molecular Frontier written by National Research Council and published by National Academies Press. This book was released on 2003-03-19 with total page 238 pages. Available in PDF, EPUB and Kindle. Book excerpt: Chemistry and chemical engineering have changed significantly in the last decade. They have broadened their scopeâ€"into biology, nanotechnology, materials science, computation, and advanced methods of process systems engineering and controlâ€"so much that the programs in most chemistry and chemical engineering departments now barely resemble the classical notion of chemistry. Beyond the Molecular Frontier brings together research, discovery, and invention across the entire spectrum of the chemical sciencesâ€"from fundamental, molecular-level chemistry to large-scale chemical processing technology. This reflects the way the field has evolved, the synergy at universities between research and education in chemistry and chemical engineering, and the way chemists and chemical engineers work together in industry. The astonishing developments in science and engineering during the 20th century have made it possible to dream of new goals that might previously have been considered unthinkable. This book identifies the key opportunities and challenges for the chemical sciences, from basic research to societal needs and from terrorism defense to environmental protection, and it looks at the ways in which chemists and chemical engineers can work together to contribute to an improved future.
Book Synopsis Recent Developments and Applications of Modern Density Functional Theory by : Jorge M. Seminario
Download or read book Recent Developments and Applications of Modern Density Functional Theory written by Jorge M. Seminario and published by Elsevier. This book was released on 1996-11-18 with total page 863 pages. Available in PDF, EPUB and Kindle. Book excerpt: The present status of Density Functional Theory (DFT), which has evolved as the main technique for the study of matter at the atomistic level, is described in this volume. Knowing the behavior of atoms and molecules provides a sure avenue for the design of new materials with specific features and properties in many areas of science and technology. A technique based on purely first principles allowing large savings in time and money greatly benefits the specialist or designer of new materials. The range of areas where DFT is applied has expanded and continues to do so. Any area where a molecular system is the center of attention can be studied using DFT.The scope of the 22 chapters in this book amply testifies to this.
