Modeling of Chemical Reactions

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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.