Download or read book Rate Constant Calculation for Thermal Reactions written by Herbert DaCosta and published by John Wiley & Sons. This book was released on 2011-12-28 with total page 310 pages. Available in PDF, EPUB and Kindle. Book excerpt: Providing an overview of the latest computational approaches to estimate rate constants for thermal reactions, this book addresses the theories behind various first-principle and approximation methods that have emerged in the last twenty years with validation examples. It presents in-depth applications of those theories to a wide range of basic and applied research areas. When doing modeling and simulation of chemical reactions (as in many other cases), one often has to compromise between higher-accuracy/higher-precision approaches (which are usually time-consuming) and approximate/lower-precision approaches (which often has the advantage of speed in providing results). This book covers both approaches. It is augmented by a wide-range of applications of the above methods to fuel combustion, unimolecular and bimolecular reactions, isomerization, polymerization, and to emission control of nitrogen oxides. An excellent resource for academics and industry members in physical chemistry, chemical engineering, and related fields.
Download or read book Rate Constant Estimation for Thermal Reactions written by Herbert DaCosta and published by . This book was released on 2012 with total page 341 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Reaction Rate Constant Computations written by Keli Han and published by Royal Society of Chemistry. This book was released on 2014 with total page 592 pages. Available in PDF, EPUB and Kindle. Book excerpt: The reaction rate constant plays an essential role a wide range of processes in biology, chemistry and physics. Calculating the reaction rate constant provides considerable understanding to a reaction and this book presents the latest thinking in modern rate computational theory. The editors have more than 30 years' experience in researching the theoretical computation of chemical reaction rate constants by global dynamics and transition state theories and have brought together a global pool of expertise discussing these in a variety of contexts and across all phases. This thorough treatment of the subject provides an essential handbook to students and researchers entering the field and a comprehensive reference to established practitioners across the sciences, providing better tools to determining reaction rate constants.
Download or read book The Calculation of Thermal Rate Constants for Gas Phase and Heterogeneous Reactions in Combustion Processes written by Bruce C. Garrett and published by . This book was released on 1987 with total page 11 pages. Available in PDF, EPUB and Kindle. Book excerpt: This final report summarizes work performed on a three year research program to develop theoretical methods to aid in the interpretation and modeling of combustion processes. The methods developed are based upon variational transition state theory and applied to gas-phase and heterogeneous reactions.
Download or read book Chemical Reaction Engineering written by Martin Schmal and published by CRC Press. This book was released on 2021-11-09 with total page 772 pages. Available in PDF, EPUB and Kindle. Book excerpt: The first English edition of this book was published in 2014. This book was originally intended for undergraduate and graduate students and had one major objective: teach the basic concepts of kinetics and reactor design. The main reason behind the book is the fact that students frequently have great difficulty to explain the basic phenomena that occur in practice. Therefore, basic concepts with examples and many exercises are presented in each topic, instead of specific projects of the industry. The main objective was to provoke students to observe kinetic phenomena and to think about them. Indeed, reactors cannot be designed and operated without knowledge of kinetics. Additionally, the empirical nature of kinetic studies is recognized in the present edition of the book. For this reason, analyses related to how experimental errors affect kinetic studies are performed and illustrated with actual data. Particularly, analytical and numerical solutions are derived to represent the uncertainties of reactant conversions in distinct scenarios and are used to analyze the quality of the obtained parameter estimates. Consequently, new topics that focus on the development of analytical and numerical procedures for more accurate description of experimental errors in reaction systems and of estimates of kinetic parameters have been included in this version of the book. Finally, kinetics requires knowledge that must be complemented and tested in the laboratory. Therefore, practical examples of reactions performed in bench and semi-pilot scales are discussed in the final chapter. This edition of the book has been organized in two parts. In the first part, a thorough discussion regarding reaction kinetics is presented. In the second part, basic equations are derived and used to represent the performances of batch and continuous ideal reactors, isothermal and non-isothermal reaction systems and homogeneous and heterogeneous reactor vessels, as illustrated with several examples and exercises. This textbook will be of great value to undergraduate and graduate students in chemical engineering as well as to graduate students in and researchers of kinetics and catalysis.
Download or read book Thermochemical Kinetics written by Sidney William Benson and published by . This book was released on 1968 with total page 248 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Gas Phase Thermal Reactions written by Guy-Marie Côme and published by Springer Science & Business Media. This book was released on 2001-10-31 with total page 358 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book is dedicated to gas-phase thermal reactions which take place in engines, burners, and industrial reactors for the production of mechanical or thermal energy, for the incineration of pollutants, or for the manufacture of chemicals. It also studies their effect on the environment: fires, explosions, tropospheric pollution, the greenhouse effect, and holes in the ozone layer. After a short reminder of the concepts and laws of thermodynamics, and of chemical and physical kinetics, the book suggests a methodology for the kinetic modelling of these reactions: generation and reduction of reaction mechanisms, estimation of kinetic data of elementary reactions, estimation of the thermodynamic data and transport data of molecules and free radicals, and analysis and validation of mechanisms by comparison of calculated results with the experimental results obtained using laboratory reactors. The models thus generated carry all the information necessary to allow them to be incorporated into computer programs for the calculation of reactors or of the fluid dynamics of reacting gases. Tables of numerical data and a list of computer programs and URLs complete the book.
Download or read book A Review of Rate Constants of Selected Reactions of Interest in Re entry Flow Fields in the Atmosphere written by M. H. Bortner and published by . This book was released on 1969 with total page 68 pages. Available in PDF, EPUB and Kindle. Book excerpt: The major reactions normally encountered in flow field-re-entry calculations for the oxygen nitrogen system are reviewed and a rate constant value for each reaction is recommended. Collisional ionization processes, charge exchange reactions and attachment-detachment reactions are included. In all, over twenty forward and reverse reactions are reviewed. Additionally, a large number of rate constant values for reactions which also effect flow field calculations are given.
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 Physical Chemistry for the Biosciences written by Raymond Chang and published by University Science Books. This book was released on 2005-02-11 with total page 706 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book is ideal for use in a one-semester introductory course in physical chemistry for students of life sciences. The author's aim is to emphasize the understanding of physical concepts rather than focus on precise mathematical development or on actual experimental details. Subsequently, only basic skills of differential and integral calculus are required for understanding the equations. The end-of-chapter problems have both physiochemical and biological applications.
Download or read book Principles of Plasma Discharges and Materials Processing written by Michael A. Lieberman and published by John Wiley & Sons. This book was released on 2024-10-15 with total page 837 pages. Available in PDF, EPUB and Kindle. Book excerpt: A new edition of this industry classic on the principles of plasma processing Plasma-based technology and materials processes have been central to the revolution of the last half-century in micro- and nano-electronics. From anisotropic plasma etching on microprocessors, memory, and analog chips, to plasma deposition for creating solar panels and flat-panel displays, plasma-based materials processes have reached huge areas of technology. As key technologies scale down in size from the nano- to the atomic level, further developments in plasma materials processing will only become more essential. Principles of Plasma Discharges and Materials Processing is the foundational introduction to the subject. It offers detailed information and procedures for designing plasma-based equipment and analyzing plasma-based processes, with an emphasis on the abiding fundamentals. Now fully updated to reflect the latest research and data, it promises to continue as an indispensable resource for graduate students and industry professionals in a myriad of technological fields. Readers of the third edition of Principles of Plasma Discharges and Materials Processing will also find: Extensive figures and tables to facilitate understanding A new chapter covering the recent development of processes involving high-pressure capacitive discharges New subsections on discharge and processing chemistry, physics, and diagnostics Principles of Plasma Discharges and Materials Processing is ideal for professionals and process engineers in the field of plasma-assisted materials processing with experience in the field of science or engineering. It is the premiere world-wide basic text for graduate courses in the field.
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 Kinetics and Mechanisms of the Gas phase Reactions of the Hydroxyl Radical with Organic Compounds written by Roger Atkinson and published by American Institute of Physics. This book was released on 1989 with total page 270 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Modern Methods for Multidimensional Dynamics Computations in Chemistry written by Donald Leo Thompson and published by World Scientific. This book was released on 1998 with total page 764 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume describes many of the key practical theoretical techniques that have been developed to treat chemical dynamics problems in many-atom systems. It contains thorough treatments of fundamental theory and prescriptions for performing computations. The selection of methods, ranging from gas phase bimolecular reactions to complex processes in condensed phases, reflects the breadth of the field.The book is an excellent reference for proven and accepted methods as well as for theoretical approaches that are still being developed. It is appropriate for graduate students and other ?novices? who wish to begin working in chemical dynamics as well as active researchers who wish to acquire a wider knowledge of the field.
Download or read book Thermodynamic Estimate of the Reaction of Hydrogen with Oxygen bearing Impurities in Salado Salt at Elevated Temperatures written by W. D. Bond and published by . This book was released on 1959 with total page 30 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Chemistry 2e written by Paul Flowers and published by . This book was released on 2019-02-14 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: Chemistry 2e is designed to meet the scope and sequence requirements of the two-semester general chemistry course. The textbook provides an important opportunity for students to learn the core concepts of chemistry and understand how those concepts apply to their lives and the world around them. The book also includes a number of innovative features, including interactive exercises and real-world applications, designed to enhance student learning. The second edition has been revised to incorporate clearer, more current, and more dynamic explanations, while maintaining the same organization as the first edition. Substantial improvements have been made in the figures, illustrations, and example exercises that support the text narrative. Changes made in Chemistry 2e are described in the preface to help instructors transition to the second edition.
Download or read book Ecological Risk Assessment written by Glenn W. Suter II and published by CRC Press. This book was released on 1992-10-23 with total page 564 pages. Available in PDF, EPUB and Kindle. Book excerpt: Recently, environmental scientists have been required to perform a new type of assessment-ecological risk assessment. This is the first book that explains how to perform ecological risk assessments and gives assessors access to the full range of useful data, models, and conceptual approaches they need to perform an accurate assessment. It explains how ecological risk assessment relates to more familiar types of assessments. It also shows how to organize and conduct an ecological risk assessment, including defining the source, selecting endpoints, describing the relevant features of the receiving environment, estimating exposure, estimating effects, characterizing the risks, and interacting with the risk manager. Specific technical topics include finding and selecting toxicity data; statistical and mathematical models of effects on organisms, populations, and ecosystems; estimation of chemical fate parameters; modeling of chemical transport and fate; estimation of chemical uptake by organisms; and estimation, propagation, and presentation of uncertainty. Ecological Risk Assessment also covers conventional risk assessments, risk assessments for existing contamination, large scale problems, exotic organisms, and risk assessments based on environmental monitoring. Environmental assessors at regulatory agencies, consulting firms, industry, and government labs need this book for its approaches and methods for ecological risk assessment. Professors in ecology and other environmental sciences will find the book's practical preparation useful for classroom instruction. Environmental toxicologists and chemists will appreciate the discussion of the utility for risk assessment of particular toxicity tests and chemical determinations.
