Chemical Kinetics: Beyond The Textbook
Chemical Kinetics: Beyond The Textbook

Author: Katja Lindenberg

Publisher: World Scientific

Published: 2019-08-27

Total Pages: 618

ISBN-13: 1786347024

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Processes involving randomly moving particles, which react either upon encounter or via distance-dependent reaction rates, are ubiquitous in nature. A few stray examples are recombination of ions or holes and electrons, excitation energy migration and quenching, trapping of particles by other species, coagulation, binding of ligands and proteins to specific sites, chemotaxis, catalytically-induced self-propulsion, polymerization, growth of dendrites or aggregates, or nuclei of a new phase.Several decades ago, it was recognized that the kinetic behavior in some systems with reactions and random transport is strongly affected by many factors, which were not taken into account in previous studies. These are, to name but a few, fluctuations in the spatial distributions of the reactants and fluctuations of the reactivity, some essentially many-particle phenomena, effects of anomalous diffusion, molecular crowding, as well as the internal geometry of the reaction bath. Within recent years, along with a growing interest in chemical processes ocurring in biological systems or cellular environments, numerous advances have been made and considerable knowledge has been acquired. These seminal contributions are, however, scattered among many journals and no attempt has been made so far to present a unified picture.This book presents a general overview of different contemporary facets of chemical kinetics in a variety of different environments. It includes 23 seminal works and reviews on different aspects of reaction processes in chemical, physical and biophysical systems, both theoretical and experimental.

Chemical Kinetics and Reaction Dynamics
Chemical Kinetics and Reaction Dynamics

Author: Santosh K. Upadhyay

Publisher: Springer Science & Business Media

Published: 2007-04-29

Total Pages: 256

ISBN-13: 1402045476

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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.

Chemical Kinetics
Chemical Kinetics

Author: Luis Arnaut

Publisher: Elsevier

Published: 2006-12-21

Total Pages: 563

ISBN-13: 0080469345

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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

Reaction Rate Theory and Rare Events
Reaction Rate Theory and Rare Events

Author: Baron Peters

Publisher: Elsevier

Published: 2017-03-22

Total Pages: 636

ISBN-13: 0444594701

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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

Kinetics of Chemical Processes
Kinetics of Chemical Processes

Author: Michel Boudart

Publisher: Elsevier

Published: 2014-05-16

Total Pages: 263

ISBN-13: 1483183971

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Kinetics of Chemical Processes details the concepts associated with the kinetic study of the chemical processes. The book is comprised of 10 chapters that present information relevant to applied research. The text first covers the elementary chemical kinetics of elementary steps, and then proceeds to discussing catalysis. The next chapter tackles simplified kinetics of sequences at the steady state. Chapter 5 deals with coupled sequences in reaction networks, while Chapter 6 talks about autocatalysis and inhibition. The seventh chapter describes the irreducible transport phenomena in chemical kinetics. The next two chapters discuss the correlations in homogenous kinetics and heterogeneous catalysis, respectively. The last chapter covers the analysis of reaction networks. The book will be of great use to students, researchers, and practitioners of scientific disciplines that deal with chemical reaction, particularly chemistry and chemical engineering.

Thermal Systems Design
Thermal Systems Design

Author: Richard J. Martin

Publisher: John Wiley & Sons

Published: 2022-01-26

Total Pages: 564

ISBN-13: 1119803470

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Thermal Systems Design Discover a project-based approach to thermal systems design In the newly revised Second Edition of Thermal Systems Design: Fundamentals and Projects, accomplished engineer and educator Dr. Richard J. Martin offers senior undergraduate and graduate students an insightful exposure to real-world design projects. The author delivers a brief review of the laws of thermodynamics, fluid mechanics, heat transfer, and combustion before moving on to a more expansive discussion of how to apply these fundamentals to design common thermal systems like boilers, combustion turbines, heat pumps, and refrigeration systems. The book includes design prompts for 14 real-world projects, teaching students and readers how to approach tasks like preparing Process Flow Diagrams and computing the thermodynamic details necessary to describe the states designated therein. Readers will learn to size pipes, ducts, and major equipment and to prepare Piping and Instrumentation Diagrams that contain the instruments, valves, and control loops needed for automatic functioning of the system. The Second Edition offers an updated look at the pedagogy of conservation equations, new examples of fuel-rich combustion, and a new summary of techniques to mitigate against thermal expansion and shock. Readers will also enjoy: Thorough introductions to thermodynamics, fluid mechanics, and heat transfer, including topics like the thermodynamics of state, flow in porous media, and radiant exchange A broad exploration of combustion fundamentals, including pollutant formation and control, combustion safety, and simple tools for computing thermochemical equilibrium when product gases contain carbon monoxide and hydrogen Practical discussions of process flow diagrams, including intelligent CAD, equipment, process lines, valves and instruments, and non-engineering items In-depth examinations of advanced thermodynamics, including customized functions to compute thermodynamic properties of air, combustion products, water/steam, and ammonia right in the user’s Excel workbook Perfect for students and instructors in capstone design courses, Thermal Systems Design: Fundamentals and Projects is also a must-read resource for mechanical and chemical engineering practitioners who are seeking to extend their engineering know-how to a wide range of unfamiliar thermal systems.

Molecular Physical Chemistry
Molecular Physical Chemistry

Author: José J. C. Teixeira-Dias

Publisher: Springer

Published: 2017-01-16

Total Pages: 466

ISBN-13: 3319410938

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This is the physical chemistry textbook for students with an affinity for computers! It offers basic and advanced knowledge for students in the second year of chemistry masters studies and beyond. In seven chapters, the book presents thermodynamics, chemical kinetics, quantum mechanics and molecular structure (including an introduction to quantum chemical calculations), molecular symmetry and crystals. The application of physical-chemical knowledge and problem solving is demonstrated in a chapter on water, treating both the water molecule as well as water in condensed phases. Instead of a traditional textbook top-down approach, this book presents the subjects on the basis of examples, exploring and running computer programs (Mathematica®), discussing the results of molecular orbital calculations (performed using Gaussian) on small molecules and turning to suitable reference works to obtain thermodynamic data. Selected Mathematica® codes are explained at the end of each chapter and cross-referenced with the text, enabling students to plot functions, solve equations, fit data, normalize probability functions, manipulate matrices and test physical models. In addition, the book presents clear and step-by-step explanations and provides detailed and complete answers to all exercises. In this way, it creates an active learning environment that can prepare students for pursuing their own research projects further down the road. Students who are not yet familiar with Mathematica® or Gaussian will find a valuable introduction to computer-based problem solving in the molecular sciences. Other computer applications can alternatively be used. For every chapter learning goals are clearly listed in the beginning, so that readers can easily spot the highlights, and a glossary in the end of the chapter offers a quick look-up of important terms.

Fundamentals of Enzyme Kinetics
Fundamentals of Enzyme Kinetics

Author: Athel Cornish-Bowden

Publisher: Elsevier

Published: 2014-05-20

Total Pages: 245

ISBN-13: 1483161196

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Fundamentals of Enzyme Kinetics details the rate of reactions catalyzed by different enzymes and the effects of varying the conditions on them. The book includes the basic principles of chemical kinetics, especially the order of a reaction and its rate constraints. The text also gives an introduction to enzyme kinetics - the idea of an enzyme-substrate complex; the Michaelis-Menten equation; the steady state treatment; and the validity of its assumption. Practical considerations, the derivation of steady-state rate equations, inhibitors and activators, and two-substrate reactions are also explained. Problems after the end of each chapter have also been added, as well as their solutions at the end of the book, to test the readers' learning. The text is highly recommended for undergraduate students in biochemistry who wish to study about enzymes or focus completely on enzymology, as most of the mathematics used in this book, which have been explained in detail to remove most barriers of understanding, is elementary.

The Shaping of Life
The Shaping of Life

Author: Lionel G. Harrison

Publisher: Cambridge University Press

Published: 2010-12-23

Total Pages: 273

ISBN-13: 1139494457

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Biological development, how organisms acquire their form, is one of the great frontiers in science. While a vast knowledge of the molecules involved in development has been gained in recent decades, big questions remain on the molecular organization and physics that shape cells, tissues and organisms. Physical scientists and biologists traditionally have very different backgrounds and perspectives, yet some of the fundamental questions in developmental biology will only be answered by combining expertise from a range of disciplines. This book is a personal account by Professor Lionel Harrison of an interdisciplinary approach to studying biological pattern formation. It articulates the power of studying dynamics in development: that to understand how an organism is made we must not only know the structure of its molecules; we must also understand how they interact and how fast they do so.