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Chemical Modelling
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Book Synopsis Molecular Modelling for Beginners by : Alan Hinchliffe
Download or read book Molecular Modelling for Beginners written by Alan Hinchliffe and published by John Wiley & Sons. This book was released on 2011-08-17 with total page 369 pages. Available in PDF, EPUB and Kindle. Book excerpt: A concise, basic introduction to modelling and computational chemistry which focuses on the essentials, including MM, MC, and MD, along with a chapter devoted to QSAR and Discovery Chemistry. Includes supporting website featuring background information, full colour illustrations, questions and answers tied into the text,Visual Basic packages and many realistic examples with solutions Takes a hands-on approach, using state of the art software packages G03/W and/or Hyperchem, Gaussian .gjf files and sample outputs. Revised with changes in emphasis and presentation to appeal to the modern student.
Author :Professor Michael Springborg Publisher :Royal Society of Chemistry ISBN 13 :1839161701 Total Pages :196 pages Book Rating :4.8/5 (391 download)
Book Synopsis Chemical Modelling by : Professor Michael Springborg
Download or read book Chemical Modelling written by Professor Michael Springborg and published by Royal Society of Chemistry. This book was released on 2021-05-05 with total page 196 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, isomerism in polyoxometalate chemistry, modelling molecular magnets, molecular modelling of cyclodextrin inclusion complexes and graphene nanoribbons heterojunctions.
Book Synopsis Modeling of Atmospheric Chemistry by : Guy P. Brasseur
Download or read book Modeling of Atmospheric Chemistry written by Guy P. Brasseur and published by Cambridge University Press. This book was released on 2017-06-19 with total page 631 pages. Available in PDF, EPUB and Kindle. Book excerpt: Mathematical modeling of atmospheric composition is a formidable scientific and computational challenge. This comprehensive presentation of the modeling methods used in atmospheric chemistry focuses on both theory and practice, from the fundamental principles behind models, through to their applications in interpreting observations. An encyclopaedic coverage of methods used in atmospheric modeling, including their advantages and disadvantages, makes this a one-stop resource with a large scope. Particular emphasis is given to the mathematical formulation of chemical, radiative, and aerosol processes; advection and turbulent transport; emission and deposition processes; as well as major chapters on model evaluation and inverse modeling. The modeling of atmospheric chemistry is an intrinsically interdisciplinary endeavour, bringing together meteorology, radiative transfer, physical chemistry and biogeochemistry, making the book of value to a broad readership. Introductory chapters and a review of the relevant mathematics make this book instantly accessible to graduate students and researchers in the atmospheric sciences.
Book Synopsis Modelling of Chemical Process Systems by : Syed Ahmad Imtiaz
Download or read book Modelling of Chemical Process Systems written by Syed Ahmad Imtiaz and published by Elsevier. This book was released on 2023-07-25 with total page 360 pages. Available in PDF, EPUB and Kindle. Book excerpt: Models and simulations are widely being used for design, optimization, fault detection and diagnosis, and various other decision-making purposes. Increasingly, models are developed at different scales and levels, all the way from molecular level to the large-scale process systems scale. Modelling of Chemical Process Systems gives readers a feel for the multiscale modelling. As models have been developed for various applications, a general systematic method for building model has emerged. This book starts with the history of modelling and its usefulness, describing modelling steps in detail. Examples have been chosen carefully from both conventional chemical process systems to contemporary systems, including fuel cell and bioprocesses. Modelling theories are complemented with case studies that explain step-by-step modelling methodologies. This book also introduces the application of machine learning techniques to model chemical process systems. This makes the book an indispensable reference for academics and professionals working in modelling and simulation. Includes case studies that explain step-by-step modelling methodologies Covers detailed multiscale modelling of chemical processes, providing examples from traditional and novel areas Provides modelling insight at micro and macro-scale levels, including machine learning techniques
Book Synopsis Computational Flow Modeling for Chemical Reactor Engineering by : Vivek V. Ranade
Download or read book Computational Flow Modeling for Chemical Reactor Engineering written by Vivek V. Ranade and published by Academic Press. This book was released on 2002 with total page 476 pages. Available in PDF, EPUB and Kindle. Book excerpt: The book relates the individual aspects of chemical reactor engineering and computational flow modeling in a coherent way to explain the potential of computational flow modeling for reactor engineering research and practice.
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 2004 with total page 454 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, 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 Chemical Applications of Molecular Modelling by : Jonathan M. Goodman
Download or read book Chemical Applications of Molecular Modelling written by Jonathan M. Goodman and published by . This book was released on 1998 with total page 244 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book explores the molecular modeling, enabling the nonspecialist to appreciate the power as well as the limitations of the computational tools available and giving a background to the methods used and how they were developed. It also provides examples of how molecular modeling has been used to address chemical questions commonly asked by the experimental chemist, and includes practical examples and case studies. 143 illus.
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 Reactor Modeling by : Hugo A. Jakobsen
Download or read book Chemical Reactor Modeling written by Hugo A. Jakobsen and published by Springer Science & Business Media. This book was released on 2014-04-02 with total page 1535 pages. Available in PDF, EPUB and Kindle. Book excerpt: Chemical Reactor Modeling closes the gap between Chemical Reaction Engineering and Fluid Mechanics. The second edition consists of two volumes: Volume 1: Fundamentals. Volume 2: Chemical Engineering Applications In volume 1 most of the fundamental theory is presented. A few numerical model simulation application examples are given to elucidate the link between theory and applications. In volume 2 the chemical reactor equipment to be modeled are described. Several engineering models are introduced and discussed. A survey of the frequently used numerical methods, algorithms and schemes is provided. A few practical engineering applications of the modeling tools are presented and discussed. The working principles of several experimental techniques employed in order to get data for model validation are outlined. The monograph is based on lectures regularly taught in the fourth and fifth years graduate courses in transport phenomena and chemical reactor modeling and in a post graduate course in modern reactor modeling at the Norwegian University of Science and Technology, Department of Chemical Engineering, Trondheim, Norway. The objective of the book is to present the fundamentals of the single-fluid and multi-fluid models for the analysis of single and multiphase reactive flows in chemical reactors with a chemical reactor engineering rather than mathematical bias. Organized into 13 chapters, it combines theoretical aspects and practical applications and covers some of the recent research in several areas of chemical reactor engineering. This book contains a survey of the modern literature in the field of chemical reactor modeling.
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 414 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 Process Modelling and Simulation in Chemical, Biochemical and Environmental Engineering by : Ashok Kumar Verma
Download or read book Process Modelling and Simulation in Chemical, Biochemical and Environmental Engineering written by Ashok Kumar Verma and published by CRC Press. This book was released on 2014-10-17 with total page 424 pages. Available in PDF, EPUB and Kindle. Book excerpt: The use of simulation plays a vital part in developing an integrated approach to process design. By helping save time and money before the actual trial of a concept, this practice can assist with troubleshooting, design, control, revamping, and more. Process Modelling and Simulation in Chemical, Biochemical and Environmental Engineering explores ef
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 462 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 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 2009-06-30 with total page 574 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, 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. Volume 6 examines the literature published between June 2007 and May 2008
Book Synopsis Chemical Modeling for Air Resources by : Jinyou Liang
Download or read book Chemical Modeling for Air Resources written by Jinyou Liang and published by Academic Press. This book was released on 2013-04-20 with total page 298 pages. Available in PDF, EPUB and Kindle. Book excerpt: Chemical Modeling for Air Resources describes fundamental topics in chemical modeling and its scientific and regulatory applications in air pollution problems, such as ozone hole, acid rain, climate change, particulate matter, and other air toxins. A number of corroborative analysis methods are described to help extract information from model data. With many examples, Chemical Modeling for Air Resources may serve as a textbook for graduate students and reference for professionals in fields of atmospheric science, environmental science and engineering. Presents atmospheric chemical modeling from both scientific and regulatory perspectives Includes a range of topics for each pollutant, including the science of how it forms, its health effects, the regulatory context, and modeling A succinct overview for air quality regulators and industry consultants interested in the most widely used modeling software
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 2010-10-05 with total page 350 pages. Available in PDF, EPUB and Kindle. Book excerpt: Reflecting the growing volume of published work in this field, researchers will find this book an invaluable source of information on current methods and applications.
Book Synopsis Computational Tools for Chemical Biology by : Sonsoles Martín-Santamaría
Download or read book Computational Tools for Chemical Biology written by Sonsoles Martín-Santamaría and published by Royal Society of Chemistry. This book was released on 2017-11-01 with total page 392 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book offers a fresh perspective on how computational tools can aid the chemical biology research community and drive new research.
Book Synopsis Modelling of Chemical Reaction Systems by : K.H. Ebert
Download or read book Modelling of Chemical Reaction Systems written by K.H. Ebert and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 399 pages. Available in PDF, EPUB and Kindle. Book excerpt: For rather a long time numerical results in chemical kinetics could only be obtained for very simple chemical reactions, most of which were of minor practi ca 1 importance. The avail abil ity of fast computers has provi ded new opportunities for developments in chemical kinetics. Chemical systems of practical interest are usually very complicated. They consi st of a great number of different el ementary chemi cal reacti ons, mostly with rate constants differi ng by many orders of magni tude, frequently with surface reacti on steps and often wi th transport processes. The deri vati on of a 'true' chemical mechani sm can be extremely cumbersome. Mostly this work is done by setting up 'reaction models' which are im proved step by step in comparison with precise experimental data. At this early stage mathematics is involved, which may al ready be rather complicated. Mathematical methods such as pertubation theory, graph theory, sensitivity analysis or numerical integration are necessary for the derivation and application of optimal chemical reaction models. Most theoretical work aimed at improving the mathematical methods was done on chemical reactions which mostly were of little practical im portance. Chemi cal engi neers, who evi dently k now well how important the chemical model s and their dynamics are for reactor desi gn, have al so to be convinced not only on the theoretical work but also on its practical applic abil ity.
