Download Modeling of Chemical Reactions Ebook PDF

Modelling of Chemical Reaction Systems

Modelling of Chemical Reaction Systems
Proceedings of an International Workshop, Heidelberg, Fed. Rep. of Germany, September 1–5, 1980

by K.H. Ebert,P. Deuflhard,W. Jäger

  • Publisher : Springer
  • Release : 2011-12-10
  • Pages : 390
  • ISBN : 9783642682223
  • Language : En, Es, Fr & De
GET BOOK

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.

Mathematical Models of Chemical Reactions

Mathematical Models of Chemical Reactions
Theory and Applications of Deterministic and Stochastic Models

by Péter Érdi,János Tóth

  • Publisher : Manchester University Press
  • Release : 1989
  • Pages : 259
  • ISBN : 9780719022081
  • Language : En, Es, Fr & De
GET BOOK

Modeling of Chemical Reactions

Modeling of Chemical Reactions
A Book

by R.W. Carr

  • Publisher : Elsevier
  • Release : 2007-09-04
  • Pages : 316
  • ISBN : 9780080546179
  • Language : En, Es, Fr & De
GET BOOK

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

Mesoscale Modeling in Chemical Engineering

Mesoscale Modeling in Chemical Engineering
A Book

by Anonim

  • Publisher : Academic Press
  • Release : 2016-02-16
  • Pages : 426
  • ISBN : 0128039310
  • Language : En, Es, Fr & De
GET BOOK

Mesoscale Modeling in Chemical Engineering, a volume in the Advances in Chemical Engineering series provides the reader with personal views of authorities in the field. Subjects covered are not limited to the classical chemical engineering disciplines, with contributions connecting chemical engineering to related scientific fields, thus providing new ideas for additional thought. The book balances well developed areas such as process industry, transformation of materials, energy, and environmental issues with areas where applications of chemical engineering are more recent or emerging. Contains reviews by leading authorities in the respective areas Presents Up-to-date reviews of latest techniques in modeling of catalytic processes Includes a mix of US and European authors, as well as academic/industrial/research institute perspectives Contains the critical connections between computation and experimental methods

Modeling of Chemical Reactions

Modeling of Chemical Reactions
A Book

by R.W. Carr

  • Publisher : Elsevier Science
  • Release : 2007-11-01
  • Pages : 316
  • ISBN : 9780444513663
  • Language : En, Es, Fr & De
GET BOOK

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

Conservation Equations And Modeling Of Chemical And Biochemical Processes

Conservation Equations And Modeling Of Chemical And Biochemical Processes
A Book

by Said S.E.H. Elnashaie,Parag Garhyan

  • Publisher : CRC Press
  • Release : 2003-03-26
  • Pages : 636
  • ISBN : 9780203911501
  • Language : En, Es, Fr & De
GET BOOK

Presenting strategies in control policies, this text uses a systems theory approach to predict, simulate and streamline plant operation, conserve fuel and resources, and increase workplace safety in the manufacturing, chemical, petrochemical, petroleum, biochemical and energy industries. Topics of discussion include system theory and chemical/biochemical engineering systems, steady state, unsteady state, and thermodynamic equilibrium, modeling of systems, fundamental laws governing the processes in terms of the state variables, different classifications of physical models, the story of chemical engineering in relation to system theory and mathematical modeling, overall heat balance with single and multiple chemical reactions and single and multiple reactions.

Advanced Data Analysis and Modelling in Chemical Engineering

Advanced Data Analysis and Modelling in Chemical Engineering
A Book

by Denis Constales,Gregory S. Yablonsky,Dagmar R. D'hooge,Joris W. Thybaut,Guy B. Marin

  • Publisher : Elsevier
  • Release : 2016-08-23
  • Pages : 414
  • ISBN : 0444594841
  • Language : En, Es, Fr & De
GET BOOK

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

Computer Modeling of Chemical Reactions in Enzymes and Solutions

Computer Modeling of Chemical Reactions in Enzymes and Solutions
A Book

by Arieh Warshel

  • Publisher : Wiley-Interscience
  • Release : 1991-11-29
  • Pages : 236
  • ISBN : 9876543210XXX
  • Language : En, Es, Fr & De
GET BOOK

This practical reference explores computer modeling of enzyme reations--techniques that help chemists, biochemists and pharmaceutical researchers understand drug and enzyme action.

Modeling and Chemical Reactions

Modeling and Chemical Reactions
Review of Turbulence and Combustion Models

by Norwegian Institute of Technology. Division of Thermodynamics

  • Publisher : Unknown Publisher
  • Release : 1989
  • Pages : 62
  • ISBN : 9788259556394
  • Language : En, Es, Fr & De
GET BOOK

Essential Computational Modeling in Chemistry

Essential Computational Modeling in Chemistry
A Book

by Philippe G. Ciarlet

  • Publisher : Elsevier
  • Release : 2010-12-07
  • Pages : 400
  • ISBN : 9780444537614
  • Language : En, Es, Fr & De
GET BOOK

Essential Computational Modeling in Chemistry presents key contributions selected from the volume in the Handbook of Numerical Analysis: Computational Modeling in Chemistry Vol. 10(2005). Computational Modeling is an active field of scientific computing at the crossroads between Physics, Chemistry, Applied Mathematics and Computer Science. Sophisticated mathematical models are increasingly complex and extensive computer simulations are on the rise. Numerical Analysis and scientific software have emerged as essential steps for validating mathematical models and simulations based on these models. This guide provides a quick reference of computational methods for use in understanding chemical reactions and how to control them. By demonstrating various computational methods in research, scientists can predict such things as molecular properties. The reference offers a number of techniques and the numerical analysis needed to perform rigorously founded computations. Various viewpoints of methods and applications are available for researchers to chose and experiment with; Numerical analysis and open problems is useful for experimentation; Most commonly used models and techniques for the molecular case is quickly accessible

Modeling and Chemical Reactions

Modeling and Chemical Reactions
Review of Turbulence and Combustion Models

by Nils I. Lilleheie

  • Publisher : Unknown Publisher
  • Release : 1989
  • Pages : 124
  • ISBN : 9788789309101
  • Language : En, Es, Fr & De
GET BOOK

"The report discuss the various aspects of the modeling of natural gas combustion in technical environment, with special emphasis on pollutant formation"--Summary.

Modeling of Chemical Reactions

Modeling of Chemical Reactions
A Book

by R.W. Carr

  • Publisher : Elsevier Science
  • Release : 2007
  • Pages : 316
  • ISBN : 9780444513663
  • Language : En, Es, Fr & De
GET BOOK

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

Applied Mathematics And Modeling For Chemical Engineers

Applied Mathematics And Modeling For Chemical Engineers
A Book

by Richard G. Rice,Duong D. Do

  • Publisher : John Wiley & Sons
  • Release : 2012-10-16
  • Pages : 396
  • ISBN : 1118024729
  • Language : En, Es, Fr & De
GET BOOK

This Second Edition of the go-to reference combines the classical analysis and modern applications of applied mathematics for chemical engineers. The book introduces traditional techniques for solving ordinary differential equations (ODEs), adding new material on approximate solution methods such as perturbation techniques and elementary numerical solutions. It also includes analytical methods to deal with important classes of finite-difference equations. The last half discusses numerical solution techniques and partial differential equations (PDEs). The reader will then be equipped to apply mathematics in the formulation of problems in chemical engineering. Like the first edition, there are many examples provided as homework and worked examples.

Modeling and Chemical Reactions

Modeling and Chemical Reactions
Development and Test of Reduced Chemical Kinetic Mechanism for Combustion of Methane

by N. I. Lilleheie

  • Publisher : Unknown Publisher
  • Release : 1991
  • Pages : 132
  • ISBN : 9788789309507
  • Language : En, Es, Fr & De
GET BOOK

Modeling in Applied Sciences

Modeling in Applied Sciences
A Kinetic Theory Approach

by Nicola Bellomo,Mario Pulvirenti

  • Publisher : Springer Science & Business Media
  • Release : 2013-11-11
  • Pages : 420
  • ISBN : 1461205131
  • Language : En, Es, Fr & De
GET BOOK

Modeling complex biological, chemical, and physical systems, in the context of spatially heterogeneous mediums, is a challenging task for scientists and engineers using traditional methods of analysis. Modeling in Applied Sciences is a comprehensive survey of modeling large systems using kinetic equations, and in particular the Boltzmann equation and its generalizations. An interdisciplinary group of leading authorities carefully develop the foundations of kinetic models and discuss the connections and interactions between model theories, qualitative and computational analysis and real-world applications. This book provides a thoroughly accessible and lucid overview of the different aspects, models, computations, and methodology for the kinetic-theory modeling process. Topics and Features: * Integrated modeling perspective utilized in all chapters * Fluid dynamics of reacting gases * Self-contained introduction to kinetic models * Becker–Doring equations * Nonlinear kinetic models with chemical reactions * Kinetic traffic-flow models * Models of granular media * Large communication networks * Thorough discussion of numerical simulations of Boltzmann equation This new book is an essential resource for all scientists and engineers who use large-scale computations for studying the dynamics of complex systems of fluids and particles. Professionals, researchers, and postgraduates will find the book a modern and authoritative guide to the topic.

Modeling of Chemical Reactions

Modeling of Chemical Reactions
A Book

by R.W. Carr

  • Publisher : Elsevier Science
  • Release : 2007-11-01
  • Pages : 316
  • ISBN : 9780444513663
  • Language : En, Es, Fr & De
GET BOOK

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

Chemical Reaction Kinetics

Chemical Reaction Kinetics
Concepts, Methods and Case Studies

by Jorge Ancheyta

  • Publisher : John Wiley & Sons
  • Release : 2017-08-07
  • Pages : 304
  • ISBN : 1119226643
  • Language : En, Es, Fr & De
GET BOOK

A practical approach to chemical reaction kinetics—from basic concepts to laboratory methods—featuring numerous real-world examples and case studies This book focuses on fundamental aspects of reaction kinetics with an emphasis on mathematical methods for analyzing experimental data and interpreting results. It describes basic concepts of reaction kinetics, parameters for measuring the progress of chemical reactions, variables that affect reaction rates, and ideal reactor performance. Mathematical methods for determining reaction kinetic parameters are described in detail with the help of real-world examples and fully-worked step-by-step solutions. Both analytical and numerical solutions are exemplified. The book begins with an introduction to the basic concepts of stoichiometry, thermodynamics, and chemical kinetics. This is followed by chapters featuring in-depth discussions of reaction kinetics; methods for studying irreversible reactions with one, two and three components; reversible reactions; and complex reactions. In the concluding chapters the author addresses reaction mechanisms, enzymatic reactions, data reconciliation, parameters, and examples of industrial reaction kinetics. Throughout the book industrial case studies are presented with step-by-step solutions, and further problems are provided at the end of each chapter. Takes a practical approach to chemical reaction kinetics basic concepts and methods Features numerous illustrative case studies based on the author’s extensive experience in the industry Provides essential information for chemical and process engineers, catalysis researchers, and professionals involved in developing kinetic models Functions as a student textbook on the basic principles of chemical kinetics for homogeneous catalysis Describes mathematical methods to determine reaction kinetic parameters with the help of industrial case studies, examples, and step-by-step solutions Chemical Reaction Kinetics is a valuable working resource for academic researchers, scientists, engineers, and catalyst manufacturers interested in kinetic modeling, parameter estimation, catalyst evaluation, process development, reactor modeling, and process simulation. It is also an ideal textbook for undergraduate and graduate-level courses in chemical kinetics, homogeneous catalysis, chemical reaction engineering, and petrochemical engineering, biotechnology.

Modeling and Chemical Reactions

Modeling and Chemical Reactions
Detailed Modeling of NO_x Emissions from Staged Combustion in Full Scale Units

by P. Ernola,M. Hupa,L. Kjäldman,P. Oksanen,Nordisk Gasteknisk Center, Hørsholm (Denmark).

  • Publisher : Unknown Publisher
  • Release : 1989
  • Pages : 40
  • ISBN : 9788789309361
  • Language : En, Es, Fr & De
GET BOOK

Complex Chemical Reaction Systems

Complex Chemical Reaction Systems
Mathematical Modelling and Simulation Proceedings of the Second Workshop, Heidelberg, Fed. Rep. of Germany, August 11–15, 1986

by Jürgen Warnatz,Willi Jäger

  • Publisher : Springer
  • Release : 2012-01-19
  • Pages : 409
  • ISBN : 9783642832260
  • Language : En, Es, Fr & De
GET BOOK

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.

Modeling with Differential Equations in Chemical Engineering

Modeling with Differential Equations in Chemical Engineering
A Book

by Stanley M. Walas

  • Publisher : Boston : Butterworth-Heinemann
  • Release : 1991
  • Pages : 450
  • ISBN : 9876543210XXX
  • Language : En, Es, Fr & De
GET BOOK

'Modelling with Differential Equations in Chemical Engineering' covers the modelling of rate processes of engineering in terms of differential equations. While it includes the purely mathematical aspects of the solution of differential equations, the main emphasis is on the derivation and solution of major equations of engineering and applied science. Methods of solving differential equations by analytical and numerical means are presented in detail with many solved examples, and problems for solution by the reader. Emphasis is placed on numerical and computer methods of solution. A key chapter in the book is devoted to the principles of mathematical modelling. These principles are applied to the equations in important engineering areas. The major disciplines covered are thermodynamics, diffusion and mass transfer, heat transfer, fluid dynamics, chemical reactions, and automatic control. These topics are of particular value to chemical engineers, but also are of interest to mechanical, civil, and environmental engineers, as well as applied scientists. The material is also suitable for undergraduate and beginning graduate students, as well as for review by practising engineers.