# Modeling of Chemical Reactions

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## Modeling of Chemical Reactions

Author | : R.W. Carr |

Publsiher | : Elsevier |

Total Pages | : 316 |

Release | : 2007-09-04 |

ISBN 10 | : 9780080546179 |

ISBN 13 | : 008054617X |

Language | : EN, FR, DE, ES & NL |

**Modeling of Chemical Reactions Book Review:**

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

## Modelling of Chemical Reaction Systems

Author | : K.H. Ebert,P. Deuflhard,W. Jäger |

Publsiher | : Springer |

Total Pages | : 390 |

Release | : 2011-12-10 |

ISBN 10 | : 9783642682223 |

ISBN 13 | : 3642682227 |

Language | : EN, FR, DE, ES & NL |

**Modelling of Chemical Reaction Systems Book Review:**

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

Author | : Péter Érdi,János Tóth |

Publsiher | : Manchester University Press |

Total Pages | : 259 |

Release | : 1989 |

ISBN 10 | : 9780719022081 |

ISBN 13 | : 0719022088 |

Language | : EN, FR, DE, ES & NL |

**Mathematical Models of Chemical Reactions Book Review:**

## Modeling of Chemical Kinetics and Reactor Design

Author | : A. Kayode Coker |

Publsiher | : Gulf Professional Publishing |

Total Pages | : 1096 |

Release | : 2001 |

ISBN 10 | : 9780884154815 |

ISBN 13 | : 0884154815 |

Language | : EN, FR, DE, ES & NL |

**Modeling of Chemical Kinetics and Reactor Design Book Review:**

Selecting the best type of reactor for any particular chemical reaction, taking into consideration safety, hazard analysis, scale-up, and many other factors is essential to any industrial problem. An understanding of chemical reaction kinetics and the design of chemical reactors is key to the success of the of the chemist and the chemical engineer in such an endeavor. This valuable reference volume conveys a basic understanding of chemical reactor design methodologies, incorporating control, hazard analysis, and other topics not covered in similar texts. In addition to covering fluid mixing, the treatment of wastewater, and chemical reactor modeling, the author includes sections on safety in chemical reaction and scale-up, two topics that are often neglected or overlooked. As a real-world introduction to the modeling of chemical kinetics and reactor design, the author includes a case study on ammonia synthesis that is integrated throughout the text. The text also features an accompanying CD, which contains computer programs developed to solve modeling problems using numerical methods. Students, chemists, technologists, and chemical engineers will all benefit from this comprehensive volume. Shows readers how to select the best reactor design, hazard analysis, and safety in design methodology Features computer programs developed to solve modeling problems using numerical methods

## Stochastic Modelling of Reaction Diffusion Processes

Author | : Radek Erban,S. Jonathan Chapman |

Publsiher | : Cambridge University Press |

Total Pages | : 318 |

Release | : 2019-12-31 |

ISBN 10 | : 1108498124 |

ISBN 13 | : 9781108498128 |

Language | : EN, FR, DE, ES & NL |

**Stochastic Modelling of Reaction Diffusion Processes Book Review:**

Practical introduction for advanced undergraduate or beginning graduate students of applied mathematics, developed at the University of Oxford.

## Conservation Equations And Modeling Of Chemical And Biochemical Processes

Author | : Said S.E.H. Elnashaie,Parag Garhyan |

Publsiher | : CRC Press |

Total Pages | : 636 |

Release | : 2003-03-26 |

ISBN 10 | : 9780203911501 |

ISBN 13 | : 0203911504 |

Language | : EN, FR, DE, ES & NL |

**Conservation Equations And Modeling Of Chemical And Biochemical Processes Book Review:**

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.

## Computer Modeling of Chemical Reactions in Enzymes and Solutions

Author | : Arieh Warshel |

Publsiher | : Wiley-Interscience |

Total Pages | : 236 |

Release | : 1991-11-29 |

ISBN 10 | : |

ISBN 13 | : UOM:39015024769096 |

Language | : EN, FR, DE, ES & NL |

**Computer Modeling of Chemical Reactions in Enzymes and Solutions Book Review:**

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

## Advanced Data Analysis and Modelling in Chemical Engineering

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

Publsiher | : Elsevier |

Total Pages | : 414 |

Release | : 2016-08-23 |

ISBN 10 | : 0444594841 |

ISBN 13 | : 9780444594846 |

Language | : EN, FR, DE, ES & NL |

**Advanced Data Analysis and Modelling in Chemical Engineering Book Review:**

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

## Modeling of Chemical Reactions

Author | : R.W. Carr |

Publsiher | : Elsevier Science |

Total Pages | : 316 |

Release | : 2007-11-01 |

ISBN 10 | : 9780444513663 |

ISBN 13 | : 0444513663 |

Language | : EN, FR, DE, ES & NL |

**Modeling of Chemical Reactions Book Review:**

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

## Kinetic Modeling of Reactions In Foods

Author | : Martinus A.J.S. van Boekel |

Publsiher | : CRC Press |

Total Pages | : 767 |

Release | : 2008-12-18 |

ISBN 10 | : 9781420017410 |

ISBN 13 | : 1420017411 |

Language | : EN, FR, DE, ES & NL |

**Kinetic Modeling of Reactions In Foods Book Review:**

The level of quality that food maintains as it travels down the production-to-consumption path is largely determined by the chemical, biochemical, physical, and microbiological changes that take place during its processing and storage. Authored by an internationally respected food quality expert, Kinetic Modeling of Reactions in Foods demonstrates how to effectively capture these changes in an integrative fashion using mathematical models. Thus, kinetic modeling of food changes creates the possibility to control and predict food quality from a technological point of view. Illustrating how kinetic modeling can predict and control food quality from farm to fork, this authoritative resource: Applies kinetic models using general chemical, physical, and biochemical principles Introduces Bayesian statistics in kinetic modeling, virtually unchartered territory in the food science field Integrates food science, kinetics, and statistics to predict and control food quality attributes using computer models Uses real-world examples rather than hypothetical data to illustrate concepts This essential reference is an indispensable guide to understanding all aspects of kinetic food modeling. Unlike many other kinetic volumes available, this book opens the door to the many untapped research opportunities in the food science realm where mathematical modeling can be applied.

## Chemical Reaction Kinetics

Author | : Jorge Ancheyta |

Publsiher | : John Wiley & Sons |

Total Pages | : 304 |

Release | : 2017-06-05 |

ISBN 10 | : 1119226651 |

ISBN 13 | : 9781119226659 |

Language | : EN, FR, DE, ES & NL |

**Chemical Reaction Kinetics Book Review:**

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.

## Mesoscale Modeling in Chemical Engineering

Author | : Anonim |

Publsiher | : Academic Press |

Total Pages | : 426 |

Release | : 2016-02-16 |

ISBN 10 | : 0128039310 |

ISBN 13 | : 9780128039311 |

Language | : EN, FR, DE, ES & NL |

**Mesoscale Modeling in Chemical Engineering Book Review:**

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 and Simulation of Heterogeneous Catalytic Reactions

Author | : Olaf Deutschmann |

Publsiher | : John Wiley & Sons |

Total Pages | : 370 |

Release | : 2013-09-18 |

ISBN 10 | : 3527639888 |

ISBN 13 | : 9783527639885 |

Language | : EN, FR, DE, ES & NL |

**Modeling and Simulation of Heterogeneous Catalytic Reactions Book Review:**

The Nobel Prize in Chemistry 2007 awarded to Gerhard Ertl for his groundbreaking studies in surface chemistry highlighted the importance of heterogeneous catalysis not only for modern chemical industry but also for environmental protection. Heterogeneous catalysis is seen as one of the key technologies which could solve the challenges associated with the increasing diversification of raw materials and energy sources. It is the decisive step in most chemical industry processes, a major method of reducing pollutant emissions from mobile sources and is present in fuel cells to produce electricity. The increasing power of computers over the last decades has led to modeling and numerical simulation becoming valuable tools in heterogeneous catalysis. This book covers many aspects, from the state-of-the-art in modeling and simulations of heterogeneous catalytic reactions on a molecular level to heterogeneous catalytic reactions from an engineering perspective. This first book on the topic conveys expert knowledge from surface science to both chemists and engineers interested in heterogeneous catalysis. The well-known and international authors comprehensively present many aspects of the wide bridge between surface science and catalytic technologies, including DFT calculations, reaction dynamics on surfaces, Monte Carlo simulations, heterogeneous reaction rates, reactions in porous media, electro-catalytic reactions, technical reactors, and perspectives of chemical and automobile industry on modeling heterogeneous catalysis. The result is a one-stop reference for theoretical and physical chemists, catalysis researchers, materials scientists, chemical engineers, and chemists in industry who would like to broaden their horizon and get a substantial overview on the different aspects of modeling and simulation of heterogeneous catalytic reactions.

## Computational Flow Modeling for Chemical Reactor Engineering

Author | : Vivek V. Ranade |

Publsiher | : Academic Press |

Total Pages | : 452 |

Release | : 2002 |

ISBN 10 | : 9780125769600 |

ISBN 13 | : 0125769601 |

Language | : EN, FR, DE, ES & NL |

**Computational Flow Modeling for Chemical Reactor Engineering Book Review:**

Full text engineering e-book.

## Modeling and Chemical Reactions

Author | : Norwegian Institute of Technology. Division of Thermodynamics |

Publsiher | : Unknown |

Total Pages | : 62 |

Release | : 1989 |

ISBN 10 | : 9788259556394 |

ISBN 13 | : 8259556391 |

Language | : EN, FR, DE, ES & NL |

**Modeling and Chemical Reactions Book Review:**

## Kinetic Models of Catalytic Reactions

Author | : G.S. Yablonskii,V.I. Bykov,V.I. Elokhin,A.N. Gorban |

Publsiher | : Elsevier |

Total Pages | : 391 |

Release | : 1991-04-17 |

ISBN 10 | : 9780080868264 |

ISBN 13 | : 0080868266 |

Language | : EN, FR, DE, ES & NL |

**Kinetic Models of Catalytic Reactions Book Review:**

This book has been written by a group of mathematicians and chemists whose common interest is in the complex dynamics of catalytic reactions. Based on developments in mathematical chemistry, a general theory is described that allows the investigation of the relationships between the kinetic characteristics of complex reactions and their detailed reaction mechanism. Furthermore, a comprehensive analysis is made of some typical mechanism of catalytic reactions, in particular for the oxidation of carbon monoxide on platinum metals. In fact, the book presents three kinetics: (a) detailed, oriented to the elucidation of a detailed reaction mechanism according to its kinetic laws; (b) applied, with the aim of obtaining kinetic relationships for the further design of chemical reactors; and (c) mathematical kinetics whose purpose is the analysis of mathematical models for heterogeneous catalytic reactions taking place under steady- or unsteady-state conditions.

## Chemical Modelling

Author | : Michael Springborg,Jan-Ole Joswig |

Publsiher | : Royal Society of Chemistry |

Total Pages | : 188 |

Release | : 2019-11-28 |

ISBN 10 | : 1788013697 |

ISBN 13 | : 9781788013697 |

Language | : EN, FR, DE, ES & NL |

**Chemical Modelling Book Review:**

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.

## Kinetics of Chemical Reactions

Author | : Guy B. Marin,Gregory S. Yablonsky,Denis Constales |

Publsiher | : Wiley-VCH |

Total Pages | : 464 |

Release | : 2019-05-07 |

ISBN 10 | : 3527342958 |

ISBN 13 | : 9783527342952 |

Language | : EN, FR, DE, ES & NL |

**Kinetics of Chemical Reactions Book Review:**

This second, extended and updated edition presents the current state of kinetics of chemical reactions, combining basic knowledge with results recently obtained at the frontier of science. Special attention is paid to the problem of the chemical reaction complexity with theoretical and methodological concepts illustrated throughout by numerous examples taken from heterogeneous catalysis combustion and enzyme processes. Of great interest to graduate students in both chemistry and chemical engineering.

## Modeling and Simulation in Polymer Reaction Engineering

Author | : Klaus-Dieter Hungenberg,Michael Wulkow |

Publsiher | : John Wiley & Sons |

Total Pages | : 320 |

Release | : 2018-05-29 |

ISBN 10 | : 3527338187 |

ISBN 13 | : 9783527338184 |

Language | : EN, FR, DE, ES & NL |

**Modeling and Simulation in Polymer Reaction Engineering Book Review:**

Introducing a unique, modular approach to modeling polymerization reactions, this useful book will enable practitioners - chemists and engineers alike - to set up and structure their own models for simulation software like Predici®, C++, MatLab® or others. The generic modules are exemplified for concrete situations for various reactor types and reaction mechanisms and allow readers to quickly find their own point of interest - a highly useful information source for polymer engineers and researchers in industry and academia.

## Plasma Chemistry and Gas Conversion

Author | : Nikolay Britun,Tiago Silva |

Publsiher | : BoD – Books on Demand |

Total Pages | : 86 |

Release | : 2018-12-19 |

ISBN 10 | : 1789848407 |

ISBN 13 | : 9781789848403 |

Language | : EN, FR, DE, ES & NL |

**Plasma Chemistry and Gas Conversion Book Review:**

Low-temperature non-equilibrium gaseous discharges represent nearly ideal media for boosting plasma-based chemical reactions. In these discharges the energy of plasma electrons, after being received from the electromagnetic field, is transferred to the other degrees of freedom differently, ideally with only a small part going to the translational motion of heavy gas particles. This unique property enables the important application of non-equilibrium plasmas for greenhouse gas conversion. While the degree of discharge non-equilibrium often defines the energetic efficiency of conversion, other factors are also of a great importance, such as type of discharge, presence of plasma catalysis, etc. This book is focused on the recent achievements in optimization and understanding of non-equilibrium plasma for gas conversion via plasma modeling and experimental work.