Computational Chemistry And Chemical Engineering - Proceedings Of The Third Unam-cray Supercomputing Confrence PDF Download
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Author: Gerardo Cisneros
Publisher: World Scientific
ISBN: 9814545805
Category :
Languages : en
Pages : 421
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Book Description
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.
Author: Gerardo Cisneros
Publisher: World Scientific
ISBN: 9814545805
Category :
Languages : en
Pages : 421
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Book Description
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.
Author: Ralph E. White
Publisher: Springer Science & Business Media
ISBN: 3642043119
Category : Science
Languages : en
Pages : 871
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Book Description
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.
Author: National Research Council
Publisher: National Academies Press
ISBN: 0309084776
Category : Science
Languages : en
Pages : 239
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Book Description
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:
Category : Chemical engineering
Languages : en
Pages : 0
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Book Description
Author: K. I. Ramachandran
Publisher: Springer Science & Business Media
ISBN: 3540773045
Category : Science
Languages : en
Pages : 405
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Book Description
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.
Author: S. Furusaki
Publisher: CRC Press
ISBN: 9781560329176
Category : Science
Languages : en
Pages : 424
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Book Description
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.
Author: Haghi, A. K.
Publisher: IGI Global
ISBN: 1466640111
Category : Technology & Engineering
Languages : en
Pages : 500
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Book Description
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.
Author: Francisco Torrens
Publisher: CRC Press
ISBN: 1351741373
Category : Science
Languages : en
Pages : 374
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Book Description
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
Author: S Furusaki
Publisher: Routledge
ISBN: 1351410571
Category : Science
Languages : en
Pages : 372
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Book Description
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.
Author: Reza K. Haghi
Publisher: CRC Press
ISBN: 1351389645
Category : Science
Languages : en
Pages : 445
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Book Description
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.
