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Chemical Modelling Volume 13
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Book Synopsis Chemical Modelling Volume 13 by : Michael Springborg
Download or read book Chemical Modelling Volume 13 written by Michael Springborg and published by Royal Society of Chemistry. This book was released on 2016-11-04 with total page 292 pages. Available in PDF, EPUB and Kindle. Book excerpt: Chemical modelling covers a wide range of disciplines and with the increase in volume, velocity and variety of information, researchers can find it difficult to keep up to date with the literature in this field. This book is the first stop for any materials scientist, biochemist, chemist or molecular physicist wishing to acquaint themselves with major developments in the applications and theory of chemical modelling. Containing both comprehensive and critical reviews, its coverage includes materials for energy storage, nanoflakes, chemical modelling of fluidics near surfaces and organic solar cells.
Book Synopsis Chemical Modelling by : Michael Springborg
Download or read book Chemical Modelling written by Michael Springborg and published by . This book was released on 2017 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Integrated Design and Simulation of Chemical Processes by : Alexandre C. Dimian
Download or read book Integrated Design and Simulation of Chemical Processes written by Alexandre C. Dimian and published by Elsevier. This book was released on 2014-09-18 with total page 887 pages. Available in PDF, EPUB and Kindle. Book excerpt: This comprehensive work shows how to design and develop innovative, optimal and sustainable chemical processes by applying the principles of process systems engineering, leading to integrated sustainable processes with 'green' attributes. Generic systematic methods are employed, supported by intensive use of computer simulation as a powerful tool for mastering the complexity of physical models. New to the second edition are chapters on product design and batch processes with applications in specialty chemicals, process intensification methods for designing compact equipment with high energetic efficiency, plantwide control for managing the key factors affecting the plant dynamics and operation, health, safety and environment issues, as well as sustainability analysis for achieving high environmental performance. All chapters are completely rewritten or have been revised. This new edition is suitable as teaching material for Chemical Process and Product Design courses for graduate MSc students, being compatible with academic requirements world-wide. The inclusion of the newest design methods will be of great value to professional chemical engineers. - Systematic approach to developing innovative and sustainable chemical processes - Presents generic principles of process simulation for analysis, creation and assessment - Emphasis on sustainable development for the future of process industries
Book Synopsis Computer Aided Property Estimation for Process and Product Design by : Georgios M. Kontogeorgis
Download or read book Computer Aided Property Estimation for Process and Product Design written by Georgios M. Kontogeorgis and published by Elsevier. This book was released on 2004-06-30 with total page 437 pages. Available in PDF, EPUB and Kindle. Book excerpt: Properties of chemical compounds and their mixtures are needed in almost every aspect of process and product design. When the use of experimental data is not possible, one of the most widely used options in the use of property estimation models. Computer Aided Property Estimation for Process and Product Design provides a presentation of the most suitable property estimation models available today as well as guidelines on how to select an appropriate model. Problems that users are faced with, such as: which models to use and what their accuracy is, are addressed using a systematical approach to property estimation. The volume includes contributions from leading experts from academia and industry. A wide spectrum of properties and phase equilibria types is covered, making it indispensable for research, development and educational purposes.* This book presents the latest developments in computational modelling for thermodynamic property estimation.* It combines theory with practice and includes illustrative examples of software applications. * The questions users of property models are faced with are addressed comprehensively.
Book Synopsis Reviews in Computational Chemistry by : Kenny B. Lipkowitz
Download or read book Reviews in Computational Chemistry written by Kenny B. Lipkowitz and published by John Wiley & Sons. This book was released on 2009-09-22 with total page 464 pages. Available in PDF, EPUB and Kindle. Book excerpt: THIS BOOK HAS SIX TUTORIALS AND REVIEWS WRITTEN BY INVITED EXPERTS. FIVE CHAPTERS TEACH TOPICS IN QUANTUM MECHANICS AND MOLECULAR SIMULATIONS. THE SIXTH CHAPTER EXPLAINS HOW PROGRAMS FOR CHEMICAL STRUCTURE DRAWING WORK. AN EDITORIAL DISCUSSES SOME OF THE MOST WELL-KNOWN PERSONAGES IN COMPUTATIONAL CHEMISTRY. FROM REVIEWS OF THE SERIES "Anyone who is doing or intends to do computational research on molecular structure and design should seriously consider purchasing this book for his or her personal library."-JOURNAL OF COMPUTATIONAL CHEMISTRY. "These reviews are becoming regarded as the standard reference among both specialists and novices in the expanding field of computational chemistry." -JOURNAL OF MOLECULAR GRAPHICS AND MODELLING. "[This book is] written for newcomers learning about molecular modeling techniques as well as for seasoned professionals who need to acquire expertise in areas outside their own."-JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCE.
Download or read book Energetic Materials written by and published by Elsevier. This book was released on 2003-11-25 with total page 487 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume provides an overview of current research and recent advances in the area of energetic materials, focusing on decomposition, crystal and molecular properties. The contents and format reflect the fact that theory, experiment and computation are closely linked in this field. Since chemical decomposition is of fundamental importance in energetic performance, this volume begins with a survey of the decomposition processes of a variety of energetic compounds. This is followed by detailed studies of certain compounds and specific mechanisms, such as nitro/aci-nitro tautomerism. Chapter 6 covers the transition from decomposition to crystal properties, with molecular dynamics being the primary analytical tool. The next several chapters deal with different aspects of the crystalline state, again moving from the general to particular. There is also a discussion of methods for computing gas, liquid and solid phase heats of formation. Finally, the last portion of this volume looks at the potential of high-nitrogen molecules as energetic systems; this has been of considerable interest in recent years.Overall, this volume illustrates the progress that has been made in the field of energetic materials and some of the areas of current activity. It also indicates the challenges involved in characterizing and understanding the properties and behaviour of these compounds. The work is a unique state-of-the-art treatment of the subject, written by pre-eminent researchers in the field.- Overall emphasis is on theory and computation, presented in the context of relevant experimental work- Presents a unique state-of-the-art treatment of the subject- Contributors are preeminent researchers in the field
Book Synopsis Surfactants: Chemistry, Interfacial Properties, Applications by : D. Möbius
Download or read book Surfactants: Chemistry, Interfacial Properties, Applications written by D. Möbius and published by Elsevier. This book was released on 2001-12-21 with total page 679 pages. Available in PDF, EPUB and Kindle. Book excerpt: This publication provides comprehensive material on the chemical and physical attributes of surfactants and new models for the understanding of structure-property relationships. Surfactants Chemistry, Interfacial Properties, Applications provides efficient instruments for the prognostication of principal physicochemical properties and the technologic applicability from the structure of a surfactant through the discussion of interrelations between the chemical structure, physicochemical properties and the efficiency of technologic application. Also included are informative overviews on new experimental techniques and abundant reference material on manufacturers, nomenclature, product properties, and experimental examples. The publication is accompanied by a CD-ROM, which is needed for the application of the thermodynamic and kinetic models to experimental data.
Book Synopsis Chemical Modelling Volume 11 by : Michael Springborg
Download or read book Chemical Modelling Volume 11 written by Michael Springborg and published by Royal Society of Chemistry. This book was released on 2014-11-07 with total page 210 pages. Available in PDF, EPUB and Kindle. Book excerpt: In a field as diverse as Chemical Modelling it can be difficult to keep up with the literature, or discover the latest applications of computational and theoretical chemistry. Specialist Periodical Reports present comprehensive and critical reviews of the recent literature, providing the reader with informed opinion and latest detailed information in their field. The latest volume of Chemical Modelling presents a diverse range of authors invited by the volume editors. Topics include Quantum Chemistry of Large Systems, Theoretical Studies of Special Relativity in Atoms and Molecules, MOFs: From Theory Towards Applications, and Multi-Scale Modelling. Other chapters look at Catalysis, Descriptive DFT, Phase Transitions. An essential resource for experienced researchers and those just entering the field of chemical modelling, this latest Specialist Periodical Report is an essential resource for any research group active in the field or chemical sciences library.
Book Synopsis Chemical Product Design: Towards a Perspective through Case Studies by : Ka M. Ng
Download or read book Chemical Product Design: Towards a Perspective through Case Studies written by Ka M. Ng and published by Elsevier. This book was released on 2006-10-24 with total page 513 pages. Available in PDF, EPUB and Kindle. Book excerpt: Chemical Product Design: Towards a Perspective through Case Studies provides a framework for chemical product design problems which are clearly defined together with different solution approaches. This book covers the latest methods and tools currently available in the field and discusses future challenges that the chemical industry is faced with. It focuses on important issues of chemical product design and provides a good overview on industrial chemical product design problems through case studies supplied by leading experts. The editors of Chemical Product Design teach chemical product design at graduate level courses and also serve as consultants for various chemical companies. They have also developed experimental techniques for chemical product design as well as computer-aided design methods and tools. - Highlights important issues of chemical product design through case studies - Case studies supplied by leading experts in chemical product design - Provides a complete framework for chemical product design
Book Synopsis Chemical Modelling by : Michael Springborg
Download or read book Chemical Modelling written by Michael Springborg and published by Royal Society of Chemistry. This book was released on 2018-02-21 with total page 264 pages. Available in PDF, EPUB and Kindle. Book excerpt: Chemical modelling covers a wide range of hot topics and active areas in computational chemistry and related fields. With the increase in volume, velocity and variety of information, researchers can find it difficult to keep up to date with the literature in these areas. Containing both comprehensive and critical reviews, this book is the first stop for any materials scientist, biochemist, chemist or molecular physicist wishing to acquaint themselves with major developments in the applications and theory of chemical modelling.
Book Synopsis Chemical Modelling Volume 17 by : Dr Hilke Bahmann
Download or read book Chemical Modelling Volume 17 written by Dr Hilke Bahmann and published by Royal Society of Chemistry. This book was released on 2022-12-19 with total page 217 pages. Available in PDF, EPUB and Kindle. Book excerpt: Chemical modelling covers a wide range of disciplines, and this book is the first stop for any chemist, materials scientist, biochemist, or molecular physicist wishing to acquaint themselves with major developments in the applications and theory of chemical modelling. Containing both comprehensive and critical reviews, it is a convenient reference to the current literature. Coverage includes, but is not limited to, considerations towards rigorous foundations for the natural-orbital representation of molecular electronic transitions, quantum and classical embedding schemes for optical properties, machine learning for excited states, ultrafast and wave function-based electron dynamics, and attosecond chemistry.
Book Synopsis Challenges in Green Analytical Chemistry by : Salvador Garrigues
Download or read book Challenges in Green Analytical Chemistry written by Salvador Garrigues and published by Royal Society of Chemistry. This book was released on 2020-05-13 with total page 398 pages. Available in PDF, EPUB and Kindle. Book excerpt: As a key area of chemistry, improving the greenness of analytical techniques is of great interest to researchers. The last decade has seen some significant developments in this area, including the use of new smart materials as analytical tools. Covering topics including solvent selection, miniaturization and metrics for the evaluation of "greenness" this book will be of use to researchers, both in academia and in industry, interested in integrating safer and more sustainable analytical techniques into their work.
Book Synopsis Reviews in Computational Chemistry, Volume 28 by : Abby L. Parrill
Download or read book Reviews in Computational Chemistry, Volume 28 written by Abby L. Parrill and published by John Wiley & Sons. This book was released on 2015-04-29 with total page 570 pages. Available in PDF, EPUB and Kindle. Book excerpt: The Reviews in Computational Chemistry series brings together leading authorities in the field to teach the newcomer and update the expert on topics centered around molecular modeling, such as computer-assisted molecular design (CAMD), quantum chemistry, molecular mechanics and dynamics, and quantitative structure-activity relationships (QSAR). This volume, like those prior to it, features chapters by experts in various fields of computational chemistry. Topics in Volume 28 include: Free-energy Calculations with Metadynamics Polarizable Force Fields for Biomolecular Modeling Modeling Protein Folding Pathways Assessing Structural Predictions of Protein-Protein Recognition Kinetic Monte Carlo Simulation of Electrochemical Systems Reactivity and Dynamics at Liquid Interfaces
Book Synopsis Chemical Modelling by : Michael Springborg
Download or read book Chemical Modelling written by Michael Springborg and published by Royal Society of Chemistry. This book was released on 2012-11-08 with total page 229 pages. Available in PDF, EPUB and Kindle. Book excerpt: Chemical Modelling: Applications and Theory comprises critical literature reviews of all aspects of molecular modelling. Molecular modelling in this context refers to modelliing the structure, properties and reactions of atoms, molecules and materials. Each chapter provides a selective review of recent literature, incorporating sufficient historical perspective for the non-specialist to gain an understanding. 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 with major developments in the area.
Book Synopsis Advances in Chemical Physics by : Ilya Prigogine
Download or read book Advances in Chemical Physics written by Ilya Prigogine and published by John Wiley & Sons. This book was released on 2009-09-08 with total page 398 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 Chemical Modelling by : Michael Springborg
Download or read book Chemical Modelling written by Michael Springborg and published by Royal Society of Chemistry. This book was released on 2019-11-28 with total page 202 pages. Available in PDF, EPUB and Kindle. Book excerpt: Chemical modelling covers a wide range of disciplines and this book is the first stop for any materials scientist, biochemist, chemist or molecular physicist wishing to acquaint themselves with major developments in the applications and theory of chemical modelling. Containing both comprehensive and critical reviews, it is a convenient reference to the current literature. Coverage includes, but is not limited to, boron clusters, molecular modeling of inclusion complexes, modelling of circular dichroism for DNA and proteins, and the interface effect of nanocomposites as electrode materials for Li/Na ion batteries.
Book Synopsis Reviews in Computational Chemistry by : Kenny B. Lipkowitz
Download or read book Reviews in Computational Chemistry written by Kenny B. Lipkowitz and published by John Wiley & Sons. This book was released on 2009-09-22 with total page 560 pages. Available in PDF, EPUB and Kindle. Book excerpt: THIS VOLUME, WHICH IS DESIGNED FOR STAND-ALONE USE IN TEACHING AND RESEARCH, FOCUSES ON QUANTUM CHEMISTRY, AN AREA OF SCIENCE THAT MANY CONSIDER TO BE THE CENTRAL CORE OF COMPUTATIONAL CHEMISTRY. TUTORIALS AND REVIEWS COVER * HOW TO OBTAIN SIMPLE CHEMICAL INSIGHT AND CONCEPTS FROM DENSITY FUNCTIONAL THEORY CALCULATIONS, * HOW TO MODEL PHOTOCHEMICAL REACTIONS AND EXCITED STATES, AND * HOW TO COMPUTE ENTHALPIES OF FORMATION OF MOLECULES. * A FOURTH CHAPTER TRACES CANADIAN RESEARCH IN THE EVOLUTION OF COMPUTATIONAL CHEMISTRY. * ALSO INCLUDED WITH THIS VOLUME IS A SPECIAL TRIBUTE TO QCPE. FROM REVIEWS OF THE SERIES "Reviews in Computational Chemistry proves itself an invaluable resource to the computational chemist. This series has a place in every computational chemist's library."-JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
