Modelling Of Chemical Reaction Systems PDF Download
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Author | : K.H. Ebert |
Publisher | : Springer Science & Business Media |
Total Pages | : 399 |
Release | : 2012-12-06 |
Genre | : Science |
ISBN | : 3642682200 |
Download Modelling of Chemical Reaction Systems Book in PDF, ePub and Kindle
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 | : Hong Qian |
Publisher | : Springer Nature |
Total Pages | : 364 |
Release | : 2021-10-18 |
Genre | : Mathematics |
ISBN | : 3030862526 |
Download Stochastic Chemical Reaction Systems in Biology Book in PDF, ePub and Kindle
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 | : Péter Érdi |
Publisher | : Manchester University Press |
Total Pages | : 296 |
Release | : 1989 |
Genre | : Chemical reactions |
ISBN | : 9780719022081 |
Download Mathematical Models of Chemical Reactions Book in PDF, ePub and Kindle
Author | : |
Publisher | : Elsevier |
Total Pages | : 1034 |
Release | : 2019-06-21 |
Genre | : Technology & Engineering |
ISBN | : 0128195797 |
Download Mathematical Modelling of Gas-Phase Complex Reaction Systems: Pyrolysis and Combustion Book in PDF, ePub and Kindle
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 | : R.W. Carr |
Publisher | : Elsevier |
Total Pages | : 317 |
Release | : 2007-09-04 |
Genre | : Science |
ISBN | : 008054617X |
Download Modeling of Chemical Reactions Book in PDF, ePub and Kindle
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 | : Levon Agasievich Tavadi︠a︡n |
Publisher | : Nova Science Publishers |
Total Pages | : 235 |
Release | : 2014-09-06 |
Genre | : Chemical kinetics |
ISBN | : 9781633210813 |
Download Analysis of Kinetic Models of Chemical Reaction Systems Book in PDF, ePub and Kindle
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 | : A. Kayode Coker |
Publisher | : Gulf Professional Publishing |
Total Pages | : 1132 |
Release | : 2001-07-26 |
Genre | : Science |
ISBN | : 9780884154815 |
Download Modeling of Chemical Kinetics and Reactor Design Book in PDF, ePub and Kindle
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 | : L. A. Tavadian |
Publisher | : Nova Science Publishers |
Total Pages | : 0 |
Release | : 2014 |
Genre | : Chemical kinetics |
ISBN | : 9781631178658 |
Download Analysis of Kinetic Models of Chemical Reaction Systems Book in PDF, ePub and Kindle
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 | : Jürgen Warnatz |
Publisher | : Springer |
Total Pages | : 432 |
Release | : 1987-11-23 |
Genre | : Science |
ISBN | : |
Download Complex Chemical Reaction Systems Book in PDF, ePub and Kindle
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 | : Warren E. Stewart |
Publisher | : John Wiley & Sons |
Total Pages | : 288 |
Release | : 2008-03-17 |
Genre | : Science |
ISBN | : 0470282029 |
Download Computer-Aided Modeling of Reactive Systems Book in PDF, ePub and Kindle
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.