Download or read book Chemical Reaction Equilibrium Theory written by Barry D. Josephs and published by . This book was released on 2013-07 with total page 250 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Chemical Reaction Equilibrium Theory Pathways to a Better Understanding written by Barry D. Josephs and published by . This book was released on 2014-09 with total page 264 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book The Reaction Path in Chemistry Current Approaches and Perspectives written by D. Heidrich and published by Springer Science & Business Media. This book was released on 2013-03-09 with total page 303 pages. Available in PDF, EPUB and Kindle. Book excerpt: The so-called reaction path (RP) with respect to the potential energy or the Gibbs energy ("free enthalpy") is one of the most fundamental concepts in chemistry. It significantly helps to display and visualize the results of the complex microscopic processes forming a chemical reaction. This concept is an implicit component of conventional transition state theory (TST). The model of the reaction path and the TST form a qualitative framework which provides chemists with a better understanding of chemical reactions and stirs their imagination. However, an exact calculation of the RP and its neighbourhood becomes important when the RP is used as a tool for a detailed exploring of reaction mechanisms and particularly when it is used as a basis for reaction rate theories above and beyond TST. The RP is a theoretical instrument that now forms the "theoretical heart" of "direct dynamics". It is particularly useful for the interpretation of reactions in common chemical systems. A suitable definition of the RP of potential energy surfaces is necessary to ensure that the reaction theories based on it will possess sufficiently high quality. Thus, we have to consider three important fields of research: - Analysis of potential energy surfaces and the definition and best calculation of the RPs or - at least - of a number of selected and chemically interesting points on it. - The further development of concrete vers ions of reaction theory beyond TST which are applicable for common chemical systems using the RP concept.
Download or read book Beyond the Molecular Frontier written by National Research Council and published by National Academies Press. This book was released on 2003-03-19 with total page 238 pages. Available in PDF, EPUB and Kindle. Book excerpt: Chemistry and chemical engineering have changed significantly in the last decade. They have broadened their scopeâ€"into biology, nanotechnology, materials science, computation, and advanced methods of process systems engineering and controlâ€"so much that the programs in most chemistry and chemical engineering departments now barely resemble the classical notion of chemistry. Beyond the Molecular Frontier brings together research, discovery, and invention across the entire spectrum of the chemical sciencesâ€"from fundamental, molecular-level chemistry to large-scale chemical processing technology. This reflects the way the field has evolved, the synergy at universities between research and education in chemistry and chemical engineering, and the way chemists and chemical engineers work together in industry. The astonishing developments in science and engineering during the 20th century have made it possible to dream of new goals that might previously have been considered unthinkable. This book identifies the key opportunities and challenges for the chemical sciences, from basic research to societal needs and from terrorism defense to environmental protection, and it looks at the ways in which chemists and chemical engineers can work together to contribute to an improved future.
Download or read book Chemistry Life the Universe and Everything written by Melanie Cooper and published by . This book was released on 2014-06-27 with total page 218 pages. Available in PDF, EPUB and Kindle. Book excerpt: As you can see, this "molecular formula is not very informative, it tells us little or nothing about their structure, and suggests that all proteins are similar, which is confusing since they carry out so many different roles.
Download or read book C1 Chemistry written by Saeed Sahebdelfar and published by CRC Press. This book was released on 2022-06-07 with total page 286 pages. Available in PDF, EPUB and Kindle. Book excerpt: Volatility of crude oil prices, depleting reservoirs and environmental concerns have stimulated worldwide research for alternative and sustainable sources of raw materials for chemicals and fuels. The idea of using single-carbon atom molecules as chemical building blocks is not new, and many such compounds have been techno-economically studied as raw materials for fuels. Nevertheless, unifying the scientific and technical issues under the topic of C1 chemistry is not as easy as it may appear. C1 Chemistry: Principles and Processes provides a comprehensive understanding of the chemical transformation from molecular to commercial plant scales and reviews the sources of C1 molecules, their conversion processes and the most recent achievements and research needs. This book: Describes the latest processes developments and introduces commercial technologies Covers a wide range of feedstocks, including greenhouse gases and organic wastes Details chemistry, thermodynamics, catalysis, kinetics and reactors for respective conversions Includes preparation and purification of C1 feedstocks, C1 molecule coupling reactions and process technologies for each C1 conversion reaction Considers environmental impacts and sustainability This book will be of interest to a wide range of researchers, academics, professionals and advanced students working in the chemical, environmental and energy sectors and offers readers insights into the challenges and opportunities in the active field of C1 chemistry.
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 Chemistry and Physics of Solid Surfaces VIII written by Ralf Vanselow and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 471 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume contains review articles written by the invited speakers at the ninth International Summer Institute in Surface Science (ISISS 1989), held at the Uni versity of Wisconsin-Milwaukee in August of 1989. During the course of ISISS, invited speakers, all internationally recognized experts in the various fields of surface science, present tutorial review lectures. In addition, these experts are asked to write review articles on their lecture topic. Former ISISS speakers serve as advisors concerning the selection of speakers and lecture topics. Emphasis is given to those areas which have not been covered in depth by recent Summer Institutes, as well as to areas which have recently gained in significance and in which important progress has been made. Because of space limitations, no individual volume of Chemistry and Physics of Solid Surfaces can possibly cover the whole area of modern surface science, or even give a complete survey of recent progress in this field. However, an attempt is made to present a balanced overview in the series as a whole. With its comprehensive literature references and extensive subject indices, this series has become a valuable resource for experts and students alike. The collected articles, which stress particularly the gas-solid interface, have been published under the following titles: Surface Science: Recent Progress and Perspectives, Crit. Rev. Solid State Sci.
Download or read book Continuum Solvation Models in Chemical Physics written by Benedetta Mennucci and published by John Wiley & Sons. This book was released on 2008-02-28 with total page 636 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book covers the theory and applications of continuum solvation models. The main focus is on the quantum-mechanical version of these models, but classical approaches and combined or hybrid techniques are also discussed. Devoted to solvation models in which reviews of the theory, the computational implementation Solvation continuum models are treated using the different points of view from experts belonging to different research fields Can be read at two levels: one, more introductive, and the other, more detailed (and more technical), on specific physical and numerical aspects involved in each issue and/or application Possible limitations or incompleteness of models is pointed out with, if possible, indications of future developments Four-colour representation of the computational modeling throughout.
Download or read book Chemically Reacting Flow written by Robert J. Kee and published by John Wiley & Sons. This book was released on 2017-09-18 with total page 789 pages. Available in PDF, EPUB and Kindle. Book excerpt: A guide to the theoretical underpinnings and practical applications of chemically reacting flow Chemically Reacting Flow: Theory, Modeling, and Simulation, Second Edition combines fundamental concepts in fluid mechanics and physical chemistry while helping students and professionals to develop the analytical and simulation skills needed to solve real-world engineering problems. The authors clearly explain the theoretical and computational building blocks enabling readers to extend the approaches described to related or entirely new applications. New to this Second Edition are substantially revised and reorganized coverage of topics treated in the first edition. New material in the book includes two important areas of active research: reactive porous-media flows and electrochemical kinetics. These topics create bridges between traditional fluid-flow simulation approaches and transport within porous-media electrochemical systems. The first half of the book is devoted to multicomponent fluid-mechanical fundamentals. In the second half the authors provide the necessary fundamental background needed to couple reaction chemistry into complex reacting-flow models. Coverage of such topics is presented in self-contained chapters, allowing a great deal of flexibility in course curriculum design. • Features new chapters on reactive porous-media flow, electrochemistry, chemical thermodynamics, transport properties, and solving differential equations in MATLAB • Provides the theoretical underpinnings and practical applications of chemically reacting flow • Emphasizes fundamentals, allowing the analyst to understand fundamental theory underlying reacting-flow simulations • Helps readers to acquire greater facility in the derivation and solution of conservation equations in new or unusual circumstances • Reorganized to facilitate use as a class text and now including a solutions manual for academic adopters Computer simulation of reactive systems is highly efficient and cost-effective in the development, enhancement, and optimization of chemical processes. Chemically Reacting Flow: Theory, Modeling, and Simulation, Second Edition helps prepare graduate students in mechanical or chemical engineering, as well as research professionals in those fields take utmost advantage of that powerful capability.
Download or read book Theory and Applications of Computational Chemistry written by Clifford Dykstra and published by Elsevier. This book was released on 2011-10-13 with total page 1336 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computational chemistry is a means of applying theoretical ideas using computers and a set of techniques for investigating chemical problems within which common questions vary from molecular geometry to the physical properties of substances. Theory and Applications of Computational Chemistry: The First Forty Years is a collection of articles on the emergence of computational chemistry. It shows the enormous breadth of theoretical and computational chemistry today and establishes how theory and computation have become increasingly linked as methodologies and technologies have advanced. Written by the pioneers in the field, the book presents historical perspectives and insights into the subject, and addresses new and current methods, as well as problems and applications in theoretical and computational chemistry. Easy to read and packed with personal insights, technical and classical information, this book provides the perfect introduction for graduate students beginning research in this area. It also provides very readable and useful reviews for theoretical chemists. * Written by well-known leading experts * Combines history, personal accounts, and theory to explain much of the field of theoretical and compuational chemistry * Is the perfect introduction to the field
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 Mass Spectrometry written by Jürgen H Gross and published by Springer Science & Business Media. This book was released on 2006-09-21 with total page 533 pages. Available in PDF, EPUB and Kindle. Book excerpt: Mass Spectrometry is an ideal textbook for students and professionals as well as newcomers to the field. Starting from the very first principles of gas-phase ion chemistry and isotopic properties, the textbook takes the reader through the design of mass analyzers and ionization methods all the way to mass spectral interpretation and coupling techniques. Step-by-step, the reader learns how mass spectrometry works and what it can do. The book comprises a balanced mixture of practice-oriented information and theoretical background. It features a clear layout and a wealth of high-quality figures. Exercises and solutions are located on the Springer Global Web.
Download or read book Handbook of Food Engineering written by Dennis R. Heldman and published by CRC Press. This book was released on 2006-11-06 with total page 1038 pages. Available in PDF, EPUB and Kindle. Book excerpt: As the demand for safe, nutritious, convenient foods continues to rise, and the capabilities of molecular biology and nutritional biochemistry continue to expand, the need for up-to-date engineering information becomes ever more critical. The application of innovative engineering concepts enables scientific breakthroughs to be utilized in the manuf
Download or read book Chemistry and Physics of Solid Surfaces written by Ralf Vanselow and published by . This book was released on 1977 with total page 486 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Towards a Thermodynamic Theory for Ecological Systems written by S.E. Jorgensen and published by Elsevier. This book was released on 2004-07-06 with total page 383 pages. Available in PDF, EPUB and Kindle. Book excerpt: The book presents a consistent and complete ecosystem theory based on thermodynamic concepts. The first chapters are devoted to an interpretation of the first and second law of thermodynamics in ecosystem context. Then Prigogine's use of far from equilibrium thermodynamic is used on ecosystems to explain their reactions to perturbations. The introduction of the concept exergy makes it possible to give a more profound and comprehensive explanation of the ecosystem's reactions and growth-patterns. A tentative fourth law of thermodynamic is formulated and applied to facilitate these explanations. The trophic chain, the global energy and radiation balance and pattern and the reactions of ecological networks are all explained by the use of exergy. Finally, it is discussed how the presented theory can be applied more widely to explain ecological observations and rules, to assess ecosystem health and to develop ecological models.
Download or read book Fundamentals of Groundwater written by Franklin W. Schwartz and published by John Wiley & Sons. This book was released on 2024-01-31 with total page 516 pages. Available in PDF, EPUB and Kindle. Book excerpt: A thoroughly updated classic on the fundamentals of groundwater The second edition of Fundamentals of Groundwater delivers an expert discussion of the fundamentals of groundwater in the hydrologic cycle and applications to contemporary problems in hydrogeology. The theme of the book is groundwater, broadly defined, and it covers the theory and practice of groundwater—from basic principles of physical and chemical hydrogeology to their application in traditional and emerging areas of practice. This new edition contains extensive revisions, including new discussions of human impacts on aquifers, and strategies and concepts for sustainable development of groundwater. It also covers the theory of groundwater flow—including concepts of hydraulic head and the Darcy equation—and ground water/surface water interactions, as well as geochemistry and contamination. Readers will also find A thorough introduction to the techniques of water resource investigations and regional groundwater flow Comprehensive explorations of groundwater chemistry and its applications in regional characterization and assessments of health impacts Practical discussions of groundwater contamination and water sustainability more generally Fulsome treatments of newly emerged contaminants, like PFAS, pathogens, agricultural contaminants, methane, arsenic, uranium, and redox processes Perfect for undergraduate and graduate students taking courses in hydrogeology, groundwater, geoscience, applied geoscience, and groundwater and contaminant processes, Fundamentals of Groundwater also benefits environmental consultants, geochemists, engineers, and geologists.
