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Computational Chemistry And Chemical Engineering
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Book Synopsis Computational Chemistry And Chemical Engineering - Proceedings Of The Third Unam-cray Supercomputing Confrence by : Gerardo Cisneros
Download or read book Computational Chemistry And Chemical Engineering - Proceedings Of The Third Unam-cray Supercomputing Confrence written by Gerardo Cisneros and published by World Scientific. This book was released on 1997-10-31 with total page 421 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book provides a wide-ranging and up-to-date description of state-of-the-art computational methodologies in chemistry and chemical engineering. It displays a representative mix of topics on the computation and modeling of chemical systems of all sizes, from the very small (atomic) to the very large (industrial). The book constitutes an excellent overview for graduate students as well as a critical update for researchers.
Book Synopsis Computational Methods in Chemical Engineering with Maple by : Ralph E. White
Download or read book Computational Methods in Chemical Engineering with Maple written by Ralph E. White and published by Springer Science & Business Media. This book was released on 2010-02-06 with total page 871 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book presents Maple solutions to a wide range of problems relevant to chemical engineers and others. Many of these solutions use Maple’s symbolic capability to help bridge the gap between analytical and numerical solutions. The readers are strongly encouraged to refer to the references included in the book for a better understanding of the physics involved, and for the mathematical analysis. This book was written for a senior undergraduate or a first year graduate student course in chemical engineering. Most of the examples in this book were done in Maple 10. However, the codes should run in the most recent version of Maple. We strongly encourage the readers to use the classic worksheet (*. mws) option in Maple as we believe it is more user-friendly and robust. In chapter one you will find an introduction to Maple which includes simple basics as a convenience for the reader such as plotting, solving linear and nonlinear equations, Laplace transformations, matrix operations, ‘do loop,’ and ‘while loop. ’ Chapter two presents linear ordinary differential equations in section 1 to include homogeneous and nonhomogeneous ODEs, solving systems of ODEs using the matrix exponential and Laplace transform method. In section two of chapter two, nonlinear ordinary differential equations are presented and include simultaneous series reactions, solving nonlinear ODEs with Maple’s ‘dsolve’ command, stop conditions, differential algebraic equations, and steady state solutions. Chapter three addresses boundary value problems.
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 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 2003-04-19 with total page 239 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.
Author :UNAM-CRAY Supercomputing Conference (3rd : 1996 : Universidad Nacional AutOnoma de MExico) Publisher : ISBN 13 : Total Pages :0 pages Book Rating :4.:/5 (97 download)
Book Synopsis Computational Chemistry and Chemical Engineering by : UNAM-CRAY Supercomputing Conference (3rd : 1996 : Universidad Nacional AutOnoma de MExico)
Download or read book Computational Chemistry and Chemical Engineering written by UNAM-CRAY Supercomputing Conference (3rd : 1996 : Universidad Nacional AutOnoma de MExico) and published by . This book was released on 1997 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis High-Performance Materials and Engineered Chemistry by : Francisco Torrens
Download or read book High-Performance Materials and Engineered Chemistry written by Francisco Torrens and published by CRC Press. This book was released on 2018-03-12 with total page 404 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume brings together innovative research, new concepts, and novel developments in the application of new tools for chemical and materials engineers. It contains significant research, reporting new methodologies and important applications in the fields of chemical engineering as well as the latest coverage of chemical databases and the development of new methods and efficient approaches for chemists. This authoritative reference source provides the latest scholarly research on the use of applied concepts to enhance the current trends and productivity in chemical engineering. Highlighting theoretical foundations, real-world cases, and future directions, this book is ideally designed for researchers, practitioners, professionals, and students of materials chemistry and chemical engineering. The volume explains and discusses new theories and presents case studies concerning material and chemical engineering. The book is divided into several sections, covering: Advanced Materials Chemoinformatics, Computational Chemistry, and Smart Technologies Analytical and Experimental Techniques
Book Synopsis Computational Chemistry and Molecular Modeling by : K. I. Ramachandran
Download or read book Computational Chemistry and Molecular Modeling written by K. I. Ramachandran and published by Springer Science & Business Media. This book was released on 2008-05-20 with total page 405 pages. Available in PDF, EPUB and Kindle. Book excerpt: The gap between introductory level textbooks and highly specialized monographs is filled by this modern textbook. It provides in one comprehensive volume the in-depth theoretical background for molecular modeling and detailed descriptions of the applications in chemistry and related fields like drug design, molecular sciences, biomedical, polymer and materials engineering. Special chapters on basic mathematics and the use of respective software tools are included. Numerous numerical examples, exercises and explanatory illustrations as well as a web site with application tools (http://www.amrita.edu/cen/ccmm) support the students and lecturers.
Book Synopsis Machine Learning in Chemistry by : Hugh M Cartwright
Download or read book Machine Learning in Chemistry written by Hugh M Cartwright and published by Royal Society of Chemistry. This book was released on 2020-07-15 with total page 564 pages. Available in PDF, EPUB and Kindle. Book excerpt: Progress in the application of machine learning (ML) to the physical and life sciences has been rapid. A decade ago, the method was mainly of interest to those in computer science departments, but more recently ML tools have been developed that show significant potential across wide areas of science. There is a growing consensus that ML software, and related areas of artificial intelligence, may, in due course, become as fundamental to scientific research as computers themselves. Yet a perception remains that ML is obscure or esoteric, that only computer scientists can really understand it, and that few meaningful applications in scientific research exist. This book challenges that view. With contributions from leading research groups, it presents in-depth examples to illustrate how ML can be applied to real chemical problems. Through these examples, the reader can both gain a feel for what ML can and cannot (so far) achieve, and also identify characteristics that might make a problem in physical science amenable to a ML approach. This text is a valuable resource for scientists who are intrigued by the power of machine learning and want to learn more about how it can be applied in their own field.
Book Synopsis Structural Analysis using Computational Chemistry by : Norma-Aurea Rangel-Vázquez
Download or read book Structural Analysis using Computational Chemistry written by Norma-Aurea Rangel-Vázquez and published by CRC Press. This book was released on 2022-09-01 with total page 183 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computational chemistry is a science that allows researchers to study, characterize and predict the structure and stability of chemical systems. In other words: studying energy differences between different states to explain spectroscopic properties and reaction mechanisms at the atomic level. This field is gaining in relevance and strength due to field applications from chemical engineering, electrical engineering, electronics, biomedicine, biology, materials science, to name but a few. Structural Analysis using Computational Chemistry arises from the need to present the progress of computational chemistry in various application areas. Technical topics discussed in the book include: • Quantum mechanics and structural molecular study (AM1)• Application of quantum models in molecular analysis• Molecular analysis of insulin through controlled adsorption in hydrogels based on chitosan• Analysis and molecular characterization of organic materials for application in solar cells• Determination of thermodynamic properties of ionic liquids through molecular simulation
Book Synopsis The Expanding World of Chemical Engineering by : S. Furusaki
Download or read book The Expanding World of Chemical Engineering written by S. Furusaki and published by CRC Press. This book was released on 2001-11-07 with total page 424 pages. Available in PDF, EPUB and Kindle. Book excerpt: This new edition of The Expanding World of Chemical Engineering provides an overview of recent and future developments in chemical engineering and future aspects in chemical engineering. The book is written by leading researchers in various fields of expertise and covers most important topics in chemical engineering. The topics covered include; computer application, material design, supercritical fluid technology, colloid and powder technology, new equipment, bio and medical technology and environmental preservation and remediation. This is a valuable book for students at all levels as well as for practitioners in chemical engineering and industry.
Book Synopsis Structural Analysis using Computational Chemistry by : Norma Aurea Rangel-Vázquez
Download or read book Structural Analysis using Computational Chemistry written by Norma Aurea Rangel-Vázquez and published by River Publishers. This book was released on 2016-09-30 with total page 184 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computational chemistry is a science that allows researchers to study, characterize and predict the structure and stability of chemical systems. In other words: studying energy differences between different states to explain spectroscopic properties and reaction mechanisms at the atomic level. This field is gaining in relevance and strength due to field applications from chemical engineering, electrical engineering, electronics, biomedicine, biology, materials science, to name but a few. Structural Analysis using Computational Chemistry arises from the need to present the progress of computational chemistry in various application areas. Technical topics discussed in the book include: Quantum mechanics and structural molecular study (AM1)Application of quantum models in molecular analysisMolecular analysis of insulin through controlled adsorption in hydrogels based on chitosanAnalysis and molecular characterization of organic materials for application in solar cellsDetermination of thermodynamic properties of ionic liquids through molecular simulation
Book Synopsis Information and Communications by : National Research Council
Download or read book Information and Communications written by National Research Council and published by National Academies Press. This book was released on 2003-11-28 with total page 208 pages. Available in PDF, EPUB and Kindle. Book excerpt: Since publication of the National Research Council (NRC) reports on chemistry in 1985 and chemical engineering in 1988,1,2 dramatic advances in information technology (IT) have totally changed these communities. During this period, the chemical enterprise and information technology have enjoyed both a remarkably productive and mutually supportive set of advances. These synergies sparked unprecedented growth in the capability and productivity of both fields including the definition of entirely new areas of the chemical enterprise. The chemical enterprise provided information technology with device fabrication processes, new materials, data, models, methods, and (most importantly) people. In turn, information technology provided chemical science and technology with truly remarkable and revolutionary resources for computations, communications, and data management. Indeed, computation has become the strong third component of the chemical science research and development effort, joining experiment and theory. Sustained mutual growth and interdependence of the chemical and information communities should take account of several unique aspects of the chemical sciences. These include extensive and complex databases that characterize the chemical disciplines; the importance of multiscale simulations that range from molecules to technological processes; the global economic impact of the chemical industry; and the industry's major influence on the nation's health, environment, security, and economic well-being. In planning the future of the chemical sciences and technology, it is crucial to recognize the benefits already derived from advances in information technology as well as to point the way to future benefits that will be derived.
Book Synopsis Methodologies and Applications for Chemoinformatics and Chemical Engineering by : Haghi, A. K.
Download or read book Methodologies and Applications for Chemoinformatics and Chemical Engineering written by Haghi, A. K. and published by IGI Global. This book was released on 2013-05-31 with total page 500 pages. Available in PDF, EPUB and Kindle. Book excerpt: In recent years, significant advances have been made in the development of chemistry and computer science integration into the fields of biomedical and chemical engineering, applying quantum principles to practical, macro-world science. Methodologies and Applications for Chemoinformatics and Chemical Engineering brings together innovative research, new concepts, and novel developments in the application of informatics tools for applied chemistry and computer science. This book is essential amongst chemists, engineers, and researchers in providing mutual communication between academics and industry professionals around the world.
Book Synopsis Impact of Advances in Computing and Communications Technologies on Chemical Science and Technology by : National Research Council
Download or read book Impact of Advances in Computing and Communications Technologies on Chemical Science and Technology written by National Research Council and published by National Academies Press. This book was released on 1999-08-31 with total page 235 pages. Available in PDF, EPUB and Kindle. Book excerpt: The Chemical Sciences Roundtable provides a forum for discussing chemically related issues affecting government, industry and government. The goal is to strengthen the chemical sciences by foster communication among all the important stakeholders. At a recent Roundtable meeting, information technology was identified as an issue of increasing importance to all sectors of the chemical enterprise. This book is the result of a workshop convened to explore this topic.
Book Synopsis Reviews in Computational Chemistry, Volume 6 by : Kenny B. Lipkowitz
Download or read book Reviews in Computational Chemistry, Volume 6 written by Kenny B. Lipkowitz and published by John Wiley & Sons. This book was released on 2009-09-22 with total page 502 pages. Available in PDF, EPUB and Kindle. Book excerpt: Volume 6 of the successful series 'Reviews in Computational Chemistry' contains articles of interest to pharmaceutical chemists, biological chemists, chemical engineers, inorganic and organometallic chemists, synthetic organic chemists, polymer chemists, and theoretical chemists. The series is designed to help the chemistry community keep current with the many new developments in computational techniques. The writing style is refreshingly pedagogical and non-mathematical, allowing students and researchers access to computational methods outside their immediate area of expertise.
Book Synopsis Modern Physical Chemistry: Engineering Models, Materials, and Methods with Applications by : Reza K. Haghi
Download or read book Modern Physical Chemistry: Engineering Models, Materials, and Methods with Applications written by Reza K. Haghi and published by CRC Press. This book was released on 2018-09-03 with total page 488 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume brings together innovative research, new concepts, and novel developments in the application of new tools for chemical engineers. It presents significant research, reporting on new methodologies and important applications in the field of chemical engineering. Highlighting theoretical foundations, real-world cases, and future directions, this book covers selected topics in a variety of areas, including: chemoinformatics and computational chemistry advanced dielectric materials nanotechniques polymer composites It also presents several advanced case studies. The topics discussed in this volume will be valuable for researchers, practitioners, professionals, and students of chemistry material and chemical engineering.
Book Synopsis The Expanding World of Chemical Engineering by : S Furusaki
Download or read book The Expanding World of Chemical Engineering written by S Furusaki and published by Routledge. This book was released on 2019-07-09 with total page 372 pages. Available in PDF, EPUB and Kindle. Book excerpt: This new edition of The Expanding World of ChemicalEngineering provides an overview of recent and future developments in chemical engineering and future aspects in chemical engineering. The book is written by leading researchers in various fields of expertise and covers most important topics in chemical engineering. The topics covered include; computer application, material design, supercritical fluid technology, colloid and powder technology, new equipment, bio and medical technology and environmental preservation and remediation. This is a valuable book for students at all levels as well as for practitioners in chemical engineering and industry.
