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Author : K.H. Ebert
Publisher : Springer
ISBN 13 : 9783540109839
Total Pages : 390 pages
Book Rating : 4.1/5 (98 download)
Download or read book Modelling of Chemical Reaction Systems written by K.H. Ebert and published by Springer. This book was released on 1981-11-01 with total page 390 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : K.H. Ebert
Publisher : Springer Science & Business Media
ISBN 13 : 3642682200
Total Pages : 399 pages
Book Rating : 4.6/5 (426 download)
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.
Author :
Publisher : Elsevier
ISBN 13 : 0128195797
Total Pages : 1034 pages
Book Rating : 4.1/5 (281 download)
Download or read book Mathematical Modelling of Gas-Phase Complex Reaction Systems: Pyrolysis and Combustion written by and published by Elsevier. This book was released on 2019-06-21 with total page 1034 pages. Available in PDF, EPUB and Kindle. Book excerpt: Mathematical Modelling of Gas-Phase Complex Reaction Systems: Pyrolysis and Combustion, Volume 45, gives an overview of the different steps involved in the development and application of detailed kinetic mechanisms, mainly relating to pyrolysis and combustion processes. The book is divided into two parts that cover the chemistry and kinetic models and then the numerical and statistical methods. It offers a comprehensive coverage of the theory and tools needed, along with the steps necessary for practical and industrial applications. Details thermochemical properties and "ab initio" calculations of elementary reaction rates Details kinetic mechanisms of pyrolysis and combustion processes Explains experimental data for improving reaction models and for kinetic mechanisms assessment Describes surrogate fuels and molecular reconstruction of hydrocarbon liquid mixtures Describes pollutant formation in combustion systems Solves and validates the kinetic mechanisms using numerical and statistical methods Outlines optimal design of industrial burners and optimization and dynamic control of pyrolysis furnaces Outlines large eddy simulation of turbulent reacting flows
Author : J. Warnatz
Publisher : Springer
ISBN 13 :
Total Pages : 430 pages
Book Rating : 4.3/5 (91 download)
Download or read book Complex Chemical Reaction Systems written by J. Warnatz and published by Springer. This book was released on 1987 with total page 430 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : A. Kayode Coker
Publisher : Gulf Professional Publishing
ISBN 13 : 9780884154815
Total Pages : 1132 pages
Book Rating : 4.1/5 (548 download)
Download or read book Modeling of Chemical Kinetics and Reactor Design written by A. Kayode Coker and published by Gulf Professional Publishing. This book was released on 2001-07-26 with total page 1132 pages. Available in PDF, EPUB and Kindle. Book excerpt: This reference conveys a basic understanding of chemical reactor design methodologies that incorporate both control and hazard analysis. It demonstrates how to select the best reactor for any particular chemical reaction, and how to estimate its size to determine the best operating conditions.
Author : Péter Érdi
Publisher : Manchester University Press
ISBN 13 : 9780719022081
Total Pages : 296 pages
Book Rating : 4.0/5 (22 download)
Download or read book Mathematical Models of Chemical Reactions written by Péter Érdi and published by Manchester University Press. This book was released on 1989 with total page 296 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : R.W. Carr
Publisher : Elsevier
ISBN 13 : 008054617X
Total Pages : 317 pages
Book Rating : 4.0/5 (85 download)
Download or read book Modeling of Chemical Reactions written by R.W. Carr and published by Elsevier. This book was released on 2007-09-04 with total page 317 pages. Available in PDF, EPUB and Kindle. Book excerpt: Modeling of Chemical Reactions covers detailed chemical kinetics models for chemical reactions. Including a comprehensive treatment of pressure dependent reactions, which are frequently not incorporated into detailed chemical kinetic models, and the use of modern computational quantum chemistry, which has recently become an extraordinarily useful component of the reaction kinetics toolkit. It is intended both for those who need to model complex chemical reaction processes but have little background in the area, and those who are already have experience and would benefit from having a wide range of useful material gathered in one volume. The range of subject matter is wider than that found in many previous treatments of this subject. The technical level of the material is also quite wide, so that non-experts can gain a grasp of fundamentals, and experts also can find the book useful. A solid introduction to kinetics Material on computational quantum chemistry, an important new area for kinetics Contains a chapter on construction of mechanisms, an approach only found in this book
Author : Hong Qian
Publisher : Springer Nature
ISBN 13 : 3030862526
Total Pages : 364 pages
Book Rating : 4.0/5 (38 download)
Download or read book Stochastic Chemical Reaction Systems in Biology written by Hong Qian and published by Springer Nature. This book was released on 2021-10-18 with total page 364 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book provides an introduction to the analysis of stochastic dynamic models in biology and medicine. The main aim is to offer a coherent set of probabilistic techniques and mathematical tools which can be used for the simulation and analysis of various biological phenomena. These tools are illustrated on a number of examples. For each example, the biological background is described, and mathematical models are developed following a unified set of principles. These models are then analyzed and, finally, the biological implications of the mathematical results are interpreted. The biological topics covered include gene expression, biochemistry, cellular regulation, and cancer biology. The book will be accessible to graduate students who have a strong background in differential equations, the theory of nonlinear dynamical systems, Markovian stochastic processes, and both discrete and continuous state spaces, and who are familiar with the basic concepts of probability theory.
Author : Levon Agasievich Tavadi︠a︡n
Publisher : Nova Science Publishers
ISBN 13 : 9781633210813
Total Pages : 235 pages
Book Rating : 4.2/5 (18 download)
Download or read book Analysis of Kinetic Models of Chemical Reaction Systems written by Levon Agasievich Tavadi︠a︡n and published by Nova Science Publishers. This book was released on 2014-09-06 with total page 235 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book presents the results of the study in the field of kinetic and numerical simulation of complex (multistep) chemical reactions. Numerical analysis methods of kinetic models of multistep chemical reactions are elucidated. Also the new value method
Author : Warren E. Stewart
Publisher : John Wiley & Sons
ISBN 13 : 0470282029
Total Pages : 288 pages
Book Rating : 4.4/5 (72 download)
Download or read book Computer-Aided Modeling of Reactive Systems written by Warren E. Stewart and published by John Wiley & Sons. This book was released on 2008-03-17 with total page 288 pages. Available in PDF, EPUB and Kindle. Book excerpt: Learn to apply modeling and parameter estimation tools and strategies to chemicalprocesses using your personal computer This book introduces readers to powerful parameter estimation and computational methods for modeling complex chemical reactions and reaction processes. It presents useful mathematical models, numerical methods for solving them, and statistical methods for testing and discriminating candidate models with experimental data. Topics covered include: Chemical reaction models Chemical reactor models Probability and statistics Bayesian estimation Process modeling with single-response data Process modeling with multi-response data Computer software (Athena Visual Studio) is available via a related Web site http://www.athenavisual.com enabling readers to carry out parameter estimation based on their data and to carry out process modeling using these parameters. As an aid to the reader, an appendix of example problems and solutions is provided. Computer-Aided Modeling of Reactive Systems is an ideal supplemental text for advanced undergraduates and graduate students in chemical engineering courses, while it also serves as a valuable resource for practitioners in industry who want to keep up to date on the most current tools and strategies available.
Download or read book Complex Chemical Reaction Systems written by and published by . This book was released on 1987 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : L. A. Tavadian
Publisher : Nova Science Publishers
ISBN 13 : 9781631178658
Total Pages : 0 pages
Book Rating : 4.1/5 (786 download)
Download or read book Analysis of Kinetic Models of Chemical Reaction Systems written by L. A. Tavadian and published by Nova Science Publishers. This book was released on 2014 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book presents the results of the study in the field of kinetic and numerical simulation of complex (multistep) chemical reactions. Numerical analysis methods of kinetic models of multistep chemical reactions are elucidated. Also the new value method of computerized study of the kinetic models of reaction systems is proposed which is distinguished by calculation simplicity, clearness, interpretability of obtained results in the terms of physics and chemistry, and in a variety of solved tasks. The given method of investigations is based on the Hamiltonian systematization of reaction mechanisms which reveals the value (kinetic significance) of individual steps and species, and, as a result, determination of the rational ways to control chemical reactions. The value of individual steps and species is determined as a ratio of the response of selected characteristic dynamic magnitude of a chemical reaction system in a certain point of time to the small disturbance of the rate of individual step and the rate-of-production of species accumulation in the initial point of time.
Author : Radek Erban
Publisher : Cambridge University Press
ISBN 13 : 1108572995
Total Pages : 322 pages
Book Rating : 4.1/5 (85 download)
Download or read book Stochastic Modelling of Reaction–Diffusion Processes written by Radek Erban and published by Cambridge University Press. This book was released on 2020-01-30 with total page 322 pages. Available in PDF, EPUB and Kindle. Book excerpt: This practical introduction to stochastic reaction-diffusion modelling is based on courses taught at the University of Oxford. The authors discuss the essence of mathematical methods which appear (under different names) in a number of interdisciplinary scientific fields bridging mathematics and computations with biology and chemistry. The book can be used both for self-study and as a supporting text for advanced undergraduate or beginning graduate-level courses in applied mathematics. New mathematical approaches are explained using simple examples of biological models, which range in size from simulations of small biomolecules to groups of animals. The book starts with stochastic modelling of chemical reactions, introducing stochastic simulation algorithms and mathematical methods for analysis of stochastic models. Different stochastic spatio-temporal models are then studied, including models of diffusion and stochastic reaction-diffusion modelling. The methods covered include molecular dynamics, Brownian dynamics, velocity jump processes and compartment-based (lattice-based) models.
Author : Jürgen Warnatz
Publisher : Springer
ISBN 13 : 9783642832246
Total Pages : 0 pages
Book Rating : 4.8/5 (322 download)
Download or read book Complex Chemical Reaction Systems written by Jürgen Warnatz and published by Springer. This book was released on 1987 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: Chemical reaction systems of practical interest are usually very complex: They consist of a large number of elementary reactions (hundreds or thou sands in a small system), mostly with rate coefficients differing by many orders of magnitude, which leads to serious stiffness, and they are often coupled with surface reaction steps and convective or diffusive processes. Thus, the derivation of a "true" chemical mechanism can be extremely cumbersome. In most cases this is done by setting up "reaction models" which are improved step by step using, for example, perturbation theory, numerical simulation and sensitivity analysis (and - hopefully, in the near future - parameter identification procedures), and by comparison with experimental data on sensitive properties. Because of the complexity of these processes, it was very difficult in the past to convince engineers to apply methods using detailed mecha nisms given in terms of elementary reactions, and even in basic sciences there was scepticism about this ambitious aim. A previous workshop on modelling of chemical reaction systems held in 1980 was an attempt to find a common language of mathematicians, chemists, and engineers working in this interdisciplinary area. Since then considerable progress has been made by the simultaneous development of applied mathematics, an enor mous increase of computer capacity, and the development of experimental techniques in physical chemistry that have made available well-working reaction mechanisms in some fields of reaction kinetics.
Author : Denis Constales
Publisher : Elsevier
ISBN 13 : 0444594841
Total Pages : 416 pages
Book Rating : 4.4/5 (445 download)
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
Author : Mark E. Davis
Publisher : Courier Corporation
ISBN 13 : 0486291316
Total Pages : 385 pages
Book Rating : 4.4/5 (862 download)
Download or read book Fundamentals of Chemical Reaction Engineering written by Mark E. Davis and published by Courier Corporation. This book was released on 2013-05-27 with total page 385 pages. Available in PDF, EPUB and Kindle. Book excerpt: Appropriate for a one-semester undergraduate or first-year graduate course, this text introduces the quantitative treatment of chemical reaction engineering. It covers both homogeneous and heterogeneous reacting systems and examines chemical reaction engineering as well as chemical reactor engineering. Each chapter contains numerous worked-out problems and real-world vignettes involving commercial applications, a feature widely praised by reviewers and teachers. 2003 edition.
Author :
Publisher : Elsevier
ISBN 13 : 0444640886
Total Pages : 1034 pages
Book Rating : 4.4/5 (446 download)
Download or read book Mathematical Modelling of Gas-Phase Complex Reaction Systems: Pyrolysis and Combustion written by and published by Elsevier. This book was released on 2019-06-06 with total page 1034 pages. Available in PDF, EPUB and Kindle. Book excerpt: Mathematical Modelling of Gas-Phase Complex Reaction Systems: Pyrolysis and Combustion, Volume 45, gives an overview of the different steps involved in the development and application of detailed kinetic mechanisms, mainly relating to pyrolysis and combustion processes. The book is divided into two parts that cover the chemistry and kinetic models and then the numerical and statistical methods. It offers a comprehensive coverage of the theory and tools needed, along with the steps necessary for practical and industrial applications. Details thermochemical properties and "ab initio" calculations of elementary reaction rates Details kinetic mechanisms of pyrolysis and combustion processes Explains experimental data for improving reaction models and for kinetic mechanisms assessment Describes surrogate fuels and molecular reconstruction of hydrocarbon liquid mixtures Describes pollutant formation in combustion systems Solves and validates the kinetic mechanisms using numerical and statistical methods Outlines optimal design of industrial burners and optimization and dynamic control of pyrolysis furnaces Outlines large eddy simulation of turbulent reacting flows
