Download or read book Modeling of Chemical Kinetics and Reactor Design written by A. Kayode Coker and published by Gulf Professional Publishing. This book was released on 2001-07-26 with total page 1132 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Download or read book Chemical Kinetics written by Luis Arnaut and published by Elsevier. This book was released on 2006-12-21 with total page 563 pages. Available in PDF, EPUB and Kindle. Book excerpt: Chemical Kinetics bridges the gap between beginner and specialist with a path that leads the reader from the phenomenological approach to the rates of chemical reactions to the state-of-the-art calculation of the rate constants of the most prevalent reactions: atom transfers, catalysis, proton transfers, substitution reactions, energy transfers and electron transfers. For the beginner provides the basics: the simplest concepts, the fundamental experiments, and the underlying theories. For the specialist shows where sophisticated experimental and theoretical methods combine to offer a panorama of time-dependent molecular phenomena connected by a new rational. Chemical Kinetics goes far beyond the qualitative description: with the guidance of theory, the path becomes a reaction path that can actually be inspected and calculated. But Chemical Kinetics is more about structure and reactivity than numbers and calculations. A great emphasis in the clarity of the concepts is achieved by illustrating all the theories and mechanisms with recent examples, some of them described with sufficient detail and simplicity to be used in general chemistry and lab courses.* Looking at atoms and molecules, and how molecular structures change with time. * Providing practical examples and detailed theoretical calculations* Of special interest to Industrial Chemistry and Biochemistry
Download or read book Chemical Kinetics and Reaction Dynamics written by Santosh K. Upadhyay and published by Springer Science & Business Media. This book was released on 2007-04-29 with total page 256 pages. Available in PDF, EPUB and Kindle. Book excerpt: Chemical Kinetics and Reaction Dynamics brings together the major facts and theories relating to the rates with which chemical reactions occur from both the macroscopic and microscopic point of view. This book helps the reader achieve a thorough understanding of the principles of chemical kinetics and includes: Detailed stereochemical discussions of reaction steps Classical theory based calculations of state-to-state rate constants A collection of matters on kinetics of various special reactions such as micellar catalysis, phase transfer catalysis, inhibition processes, oscillatory reactions, solid-state reactions, and polymerization reactions at a single source. The growth of the chemical industry greatly depends on the application of chemical kinetics, catalysts and catalytic processes. This volume is therefore an invaluable resource for all academics, industrial researchers and students interested in kinetics, molecular reaction dynamics, and the mechanisms of chemical reactions.
Download or read book Reaction Mechanisms in Environmental Engineering written by James G. Speight and published by Butterworth-Heinemann. This book was released on 2018-08-13 with total page 458 pages. Available in PDF, EPUB and Kindle. Book excerpt: Reaction Mechanisms in Environmental Engineering: Analysis and Prediction describes the principles that govern chemical reactivity and demonstrates how these principles are used to yield more accurate predictions. The book will help users increase accuracy in analyzing and predicting the speed of pollutant conversion in engineered systems, such as water and wastewater treatment plants, or in natural systems, such as lakes and aquifers receiving industrial pollution. Using examples from air, water and soil, the book begins with a clear exposition of the properties of environmental and inorganic organic chemicals that is followed by partitioning and sorption processes and sorption and transformation processes. Kinetic principles are used to calculate or estimate the pollutants' half-lives, while physical-chemical properties of organic pollutants are used to estimate transformation mechanisms and rates. The book emphasizes how to develop an understanding of how physico-chemical and structural properties relate to transformations of organic pollutants. - Offers a one-stop source for analyzing and predicting the speed of organic and inorganic reaction mechanisms for air, water and soil - Provides the tools and methods for increased accuracy in analyzing and predicting the speed of pollutant conversion in engineered systems - Uses kinetic principles and the physical-chemical properties of organic pollutants to estimate transformation mechanisms and rates
Download or read book Reaction Rate Theory and Rare Events written by Baron Peters and published by Elsevier. This book was released on 2017-03-22 with total page 636 pages. Available in PDF, EPUB and Kindle. Book excerpt: Reaction Rate Theory and Rare Events bridges the historical gap between these subjects because the increasingly multidisciplinary nature of scientific research often requires an understanding of both reaction rate theory and the theory of other rare events. The book discusses collision theory, transition state theory, RRKM theory, catalysis, diffusion limited kinetics, mean first passage times, Kramers theory, Grote-Hynes theory, transition path theory, non-adiabatic reactions, electron transfer, and topics from reaction network analysis. It is an essential reference for students, professors and scientists who use reaction rate theory or the theory of rare events. In addition, the book discusses transition state search algorithms, tunneling corrections, transmission coefficients, microkinetic models, kinetic Monte Carlo, transition path sampling, and importance sampling methods. The unified treatment in this book explains why chemical reactions and other rare events, while having many common theoretical foundations, often require very different computational modeling strategies. - Offers an integrated approach to all simulation theories and reaction network analysis, a unique approach not found elsewhere - Gives algorithms in pseudocode for using molecular simulation and computational chemistry methods in studies of rare events - Uses graphics and explicit examples to explain concepts - Includes problem sets developed and tested in a course range from pen-and-paper theoretical problems, to computational exercises
Download or read book Theories of Molecular Reaction Dynamics written by Niels E. Henriksen and published by Oxford University Press, USA. This book was released on 2008 with total page 391 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book deals with a central topic at the interface of chemistry and physics - the understanding of how the transformation of matter takes place at the atomic level. Building on the laws of physics, the book focuses on the theoretical framework for predicting the outcome of chemical reactions. The style is highly systematic with attention to basic concepts and clarity of presentation. Molecular reaction dynamics is about the detailed atomic-level description of chemical reactions. Based on quantum mechanics and statistical mechanics or, as an approximation, classical mechanics, the dynamics of uni- and bi-molecular elementary reactions are described. The book features a detailed presentation of transition-state theory which plays an important role in practice, and a comprehensive discussion of basic theories of reaction dynamics in condensed phases. Examples and end-of-chapter problems are included in order to illustrate the theory and its connection to chemical problems.
Download or read book Cleaner Combustion written by Frédérique Battin-Leclerc and published by Springer Science & Business Media. This book was released on 2013-09-06 with total page 657 pages. Available in PDF, EPUB and Kindle. Book excerpt: This overview compiles the on-going research in Europe to enlarge and deepen the understanding of the reaction mechanisms and pathways associated with the combustion of an increased range of fuels. Focus is given to the formation of a large number of hazardous minor pollutants and the inability of current combustion models to predict the formation of minor products such as alkenes, dienes, aromatics, aldehydes and soot nano-particles which have a deleterious impact on both the environment and on human health. Cleaner Combustion describes, at a fundamental level, the reactive chemistry of minor pollutants within extensively validated detailed mechanisms for traditional fuels, but also innovative surrogates, describing the complex chemistry of new environmentally important bio-fuels. Divided into five sections, a broad yet detailed coverage of related research is provided. Beginning with the development of detailed kinetic mechanisms, chapters go on to explore techniques to obtain reliable experimental data, soot and polycyclic aromatic hydrocarbons, mechanism reduction and uncertainty analysis, and elementary reactions. This comprehensive coverage of current research provides a solid foundation for researchers, managers, policy makers and industry operators working in or developing this innovative and globally relevant field.
Download or read book Chemical Kinetics written by Kenneth Antonio Connors and published by Wiley-VCH Verlag GmbH. This book was released on 1990 with total page 498 pages. Available in PDF, EPUB and Kindle. Book excerpt: Chemical Kinetics The Study of Reaction Rates in Solution Kenneth A. Connors This chemical kinetics book blends physical theory, phenomenology and empiricism to provide a guide to the experimental practice and interpretation of reaction kinetics in solution. It is suitable for courses in chemical kinetics at the graduate and advanced undergraduate levels. This book will appeal to students in physical organic chemistry, physical inorganic chemistry, biophysical chemistry, biochemistry, pharmaceutical chemistry and water chemistry all fields concerned with the rates of chemical reactions in the solution phase.
Download or read book Chemical Kinetics and Process Dynamics in Aquatic Systems written by PatrickL. Brezonik and published by Routledge. This book was released on 2018-05-08 with total page 784 pages. Available in PDF, EPUB and Kindle. Book excerpt: Chemical Kinetics and Process Dynamics in Aquatic Systems is devoted to chemical reactions and biogeochemical processes in aquatic systems. The book provides a thorough analysis of the principles, mathematics, and analytical tools used in chemical, microbial, and reactor kinetics. It also presents a comprehensive, up-to-date description of the kinetics of important chemical processes in aquatic environments. Aquatic photochemistry and correlation methods (e.g., LFERs and QSARs) to predict process rates are covered. Numerous examples are included, and each chapter has a detailed bibliography and problems sets. The book will be an excellent text/reference for professionals and students in such fields as aquatic chemistry, limnology, aqueous geochemistry, microbial ecology, marine science, environmental and water resources engineering, and geochemistry.
Download or read book Chemical Kinetics and Catalysis written by Richard I. Masel and published by Wiley-Interscience. This book was released on 2001-04-13 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: Provides a thorough and up-to-date treatment of chemical kinetics and catalysis, combining traditional background information with the latest computational methods for fitting data to appropriate rate equations. Demonstrates how the vastly improved computational tools now available allow application of kinetic concepts to understanding and predicting the behavior of diverse and complex phenomena, including biological systems, semiconductor growth, and corrosion. * Contains chapters reviewing of kinetic concepts, introducing kinetics via rate equations and mechanisms, explaining the theory of reaction rates (a section on trajectory calculations to simulate reactions), predicting potential energy surfaces (methods for directing the reaction rate), and discussing catalysis with a focus on modifying the reaction rate. * A useful reference guide, providing the essential basics along with numerous solved examples, problems, and illustrative computer programs.
Download or read book Predictive Models for Soil Contaminants written by Donald Stanton Gamble and published by Cambridge Scholars Publishing. This book was released on 2021-01-26 with total page 242 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book makes available, for the first time, a collection of instantly predictive spreadsheet models for the behaviour of soil contaminants. It provides graphic presentations of predictions which show the separate, but connected, physical and chemical changes, as well as numerical data for these changes. The models discussed here are predictive because they discuss these separate but connected physical chemical processes through conventional chemical kinetics, which is supported by experimental stoichiometry. The book will appeal to those who need better technology in dealing with soil contaminants, such as governments and multinational companies, but will also be of interest to chemists, hydrology engineers, and toxicologists engaged in pure and applied environmental science research, as well as educators.
Download or read book Introduction to Chemical Kinetics written by Margaret Robson Wright and published by John Wiley & Sons. This book was released on 2005-08-19 with total page 462 pages. Available in PDF, EPUB and Kindle. Book excerpt: The range of courses requiring a good basic understanding of chemical kinetics is extensive, ranging from chemical engineers and pharmacists to biochemists and providing the fundamentals in chemistry. Due to the wide reaching nature of the subject readers often struggle to find a book which provides in-depth, comprehensive information without focusing on one specific subject too heavily. Here Dr Margaret Wright provides an essential introduction to the subject guiding the reader through the basics but then going on to provide a reference which professionals will continue to dip in to through their careers. Through extensive worked examples, Dr Wright, presents the theories as to why and how reactions occur, before examining the physical and chemical requirements for a reaction and the factors which can influence these. * Carefully structured, each chapter includes learning objectives, summary sections and problems. * Includes numerous applications to show relevance of kinetics and also provides plenty of worked examples integrated throughout the text.
Download or read book Fate And Prediction Of Environmental Chemicals In Soils Plants And Aquatic Systems written by Mohammed Mansour and published by CRC Press. This book was released on 2018-02-06 with total page 301 pages. Available in PDF, EPUB and Kindle. Book excerpt: Fate and Prediction of Environmental Chemicals in Soils, Plants, and Aquatic Systems focuses on the chemical persistence and ecotoxicological behavior of pesticides in soil, water, and plants. The book examines recent developments in research on various substances and relays information regarding transport, adsorption, absorption, accumulation, degradation, biological effects, toxicity to aquatic organisms, air pollution, exposure, and risk estimation. Leading international scientists present their advances in analytical methodology and instrumentation in the fields of agrochemicals and environmental chemistry. This useful review of data, methods, and principles will benefit environmental researchers, managers, biologists, chemists, pharmacologists, and others interested in assessing the potential for contamination of soil, air, water, and plants.
Download or read book Turbulent Combustion Modeling written by Tarek Echekki and published by Springer Science & Business Media. This book was released on 2010-12-25 with total page 496 pages. Available in PDF, EPUB and Kindle. Book excerpt: Turbulent combustion sits at the interface of two important nonlinear, multiscale phenomena: chemistry and turbulence. Its study is extremely timely in view of the need to develop new combustion technologies in order to address challenges associated with climate change, energy source uncertainty, and air pollution. Despite the fact that modeling of turbulent combustion is a subject that has been researched for a number of years, its complexity implies that key issues are still eluding, and a theoretical description that is accurate enough to make turbulent combustion models rigorous and quantitative for industrial use is still lacking. In this book, prominent experts review most of the available approaches in modeling turbulent combustion, with particular focus on the exploding increase in computational resources that has allowed the simulation of increasingly detailed phenomena. The relevant algorithms are presented, the theoretical methods are explained, and various application examples are given. The book is intended for a relatively broad audience, including seasoned researchers and graduate students in engineering, applied mathematics and computational science, engine designers and computational fluid dynamics (CFD) practitioners, scientists at funding agencies, and anyone wishing to understand the state-of-the-art and the future directions of this scientifically challenging and practically important field.
Download or read book Modeling of End Gas Autoignition for Knock Prediction in Gasoline Engines written by Andreas Manz and published by Logos Verlag Berlin GmbH. This book was released on 2016-08-18 with total page 263 pages. Available in PDF, EPUB and Kindle. Book excerpt: Downsizing of modern gasoline engines with direct injection is a key concept for achieving future CO22 emission targets. However, high power densities and optimum efficiency are limited by an uncontrolled autoignition of the unburned air-fuel mixture, the so-called spark knock phenomena. By a combination of three-dimensional Computational Fluid Dynamics (3D-CFD) and experiments incorporating optical diagnostics, this work presents an integral approach for predicting combustion and autoignition in Spark Ignition (SI) engines. The turbulent premixed combustion and flame front propagation in 3D-CFD is modeled with the G-equation combustion model, i.e. a laminar flamelet approach, in combination with the level set method. Autoignition in the unburned gas zone is modeled with the Shell model based on reduced chemical reactions using optimized reaction rate coefficients for different octane numbers (ON) as well as engine relevant pressures, temperatures and EGR rates. The basic functionality and sensitivities of improved sub-models, e.g. laminar flame speed, are proven in simplified test cases followed by adequate engine test cases. It is shown that the G-equation combustion model performs well even on unstructured grids with polyhedral cells and coarse grid resolution. The validation of the knock model with respect to temporal and spatial knock onset is done with fiber optical spark plug measurements and statistical evaluation of individual knocking cycles with a frequency based pressure analysis. The results show a good correlation with the Shell autoignition relevant species in the simulation. The combined model approach with G-equation and Shell autoignition in an active formulation enables a realistic representation of thin flame fronts and hence the thermodynamic conditions prior to knocking by taking into account the ignition chemistry in unburned gas, temperature fluctuations and self-acceleration effects due to pre-reactions. By the modeling approach and simulation methodology presented in this work the overall predictive capability for the virtual development of future knockproof SI engines is improved.
Download or read book Big Data in Predictive Toxicology written by Daniel Neagu and published by Royal Society of Chemistry. This book was released on 2019-12-04 with total page 303 pages. Available in PDF, EPUB and Kindle. Book excerpt: The rate at which toxicological data is generated is continually becoming more rapid and the volume of data generated is growing dramatically. This is due in part to advances in software solutions and cheminformatics approaches which increase the availability of open data from chemical, biological and toxicological and high throughput screening resources. However, the amplified pace and capacity of data generation achieved by these novel techniques presents challenges for organising and analysing data output. Big Data in Predictive Toxicology discusses these challenges as well as the opportunities of new techniques encountered in data science. It addresses the nature of toxicological big data, their storage, analysis and interpretation. It also details how these data can be applied in toxicity prediction, modelling and risk assessment. This title is of particular relevance to researchers and postgraduates working and studying in the fields of computational methods, applied and physical chemistry, cheminformatics, biological sciences, predictive toxicology and safety and hazard assessment.
Download or read book Pyrolysis Theory and Industrial Practice written by Lyle Frederick Albright and published by . This book was released on 1983 with total page 512 pages. Available in PDF, EPUB and Kindle. Book excerpt:
