December 5, 2020

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Modeling of Chemical Reactions

Modeling of Chemical Reactions
Author : R.W. Carr
Publisher : Elsevier Science
Release Date : 2007-11-01
Category : Science
Total pages :316
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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

Modeling of Chemical Reactions

Modeling of Chemical Reactions
Author : R.W. Carr
Publisher : Elsevier
Release Date : 2007-09-04
Category : Science
Total pages :316
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

Computer Modeling of Chemical Reactions in Enzymes and Solutions

Computer Modeling of Chemical Reactions in Enzymes and Solutions
Author : Arieh Warshel
Publisher : Wiley-Interscience
Release Date : 1997-03-28
Category : Science
Total pages :256
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This practical reference explores computer modeling of enzyme reations--techniques that help chemists, biochemists and pharmaceutical researchers understand drug and enzyme action.

Modeling of Chemical Kinetics and Reactor Design

Modeling of Chemical Kinetics and Reactor Design
Author : A. Kayode Coker
Publisher : Elsevier
Release Date : 2001-08-14
Category : Technology & Engineering
Total pages :1136
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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

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
Publisher : CRC Press
Release Date : 2003-03-26
Category : Science
Total pages :636
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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.

Kinetic Modeling of Reactions In Foods

Kinetic Modeling of Reactions In Foods
Author : Martinus A.J.S. van Boekel
Publisher : CRC Press
Release Date : 2008-12-18
Category : Technology & Engineering
Total pages :767
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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.

Modelling of Chemical Reaction Systems

Modelling of Chemical Reaction Systems
Author : K.H. Ebert,P. Deuflhard,W. Jäger
Publisher : Springer
Release Date : 1981-11-01
Category : Science
Total pages :390
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Comprehensive Chemical Kinetics

Comprehensive Chemical Kinetics
Author : C. H. Bamford,Charles Frank Howlett Tipper
Publisher : Unknown
Release Date : 1969
Category : Chemical kinetics
Total pages :129
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Stochastic Modelling of Reaction-Diffusion Processes

Stochastic Modelling of Reaction-Diffusion Processes
Author : Radek Erban,S. Jonathan Chapman
Publisher : Cambridge University Press
Release Date : 2019-12-31
Category : Mathematics
Total pages :318
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Practical introduction for advanced undergraduate or beginning graduate students of applied mathematics, developed at the University of Oxford.

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
Publisher : Elsevier
Release Date : 2016-08-23
Category : Technology & Engineering
Total pages :414
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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

Mathematical Models of Chemical Reactions

Mathematical Models of Chemical Reactions
Author : Péter Érdi,János Tóth
Publisher : Manchester University Press
Release Date : 1989
Category : Chemical reactions
Total pages :259
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Computational Flow Modeling for Chemical Reactor Engineering

Computational Flow Modeling for Chemical Reactor Engineering
Author : Vivek V. Ranade
Publisher : Academic Press
Release Date : 2002
Category : Technology & Engineering
Total pages :452
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Full text engineering e-book.

Modeling the Dynamics of Chemical Reactions Involving Multidimensional Tunneling

Modeling the Dynamics of Chemical Reactions Involving Multidimensional Tunneling
Author : Yi-Ping Liu
Publisher : Unknown
Release Date : 1993
Category :
Total pages :526
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MIX2

MIX2
Author : L. Niel Plummer,David L. Parkhurst,David Richard Kosiur
Publisher : Unknown
Release Date : 1975
Category : MIX2 (Computer program)
Total pages :136
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Chemical Reaction Kinetics

Chemical Reaction Kinetics
Author : Jorge Ancheyta
Publisher : John Wiley & Sons
Release Date : 2017-06-05
Category : Science
Total pages :304
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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.