Reaction Rate Theory and Rare Events

Author: Baron Peters

Publisher: Elsevier

ISBN: 0444594701

Category: Technology & Engineering

Page: 634

View: 9700

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

Reaction Rate Theory

Faraday Discussion 195

Author: N.A

Publisher: Faraday Discussions

ISBN: 9781782624837

Category: Science

Page: 720

View: 8641

Reaction rate theory has developed rapidly in recent years and is being used to interpret and simulate an ever growing range of challenging rate-processes in chemistry, physics and biology. New theories and methodologies have been developed to treat processes including coupled proton and electron transfer, enzyme catalysis, nucleation and transport through cell membranes. Underlying these disparate areas of rate-theory are a common language, techniques and methodology. This Faraday Discussions brings together theoretical and physical chemists, molecular biologists, solid state physicists and bio-physicists in academia and industry to discuss recent advances in reaction rate theory.

Statistical Mechanics: Theory and Molecular Simulation

Author: Mark Tuckerman

Publisher: OUP Oxford

ISBN: 9780191523465

Category: Science

Page: 720

View: 5775

Complex systems that bridge the traditional disciplines of physics, chemistry, biology, and materials science can be studied at an unprecedented level of detail using increasingly sophisticated theoretical methodology and high-speed computers. The aim of this book is to prepare burgeoning users and developers to become active participants in this exciting and rapidly advancing research area by uniting for the first time, in one monograph, the basic concepts of equilibrium and time-dependent statistical mechanics with the modern techniques used to solve the complex problems that arise in real-world applications. The book contains a detailed review of classical and quantum mechanics, in-depth discussions of the most commonly used ensembles simultaneously with modern computational techniques such as molecular dynamics and Monte Carlo, and important topics including free-energy calculations, linear-response theory, harmonic baths and the generalized Langevin equation, critical phenomena, and advanced conformational sampling methods. Burgeoning users and developers are thus provided firm grounding to become active participants in this exciting and rapidly advancing research area, while experienced practitioners will find the book to be a useful reference tool for the field.

The Improbability Principle

Why Coincidences, Miracles, and Rare Events Happen Every Day

Author: David J. Hand

Publisher: Macmillan

ISBN: 0374175349

Category: Business & Economics

Page: 269

View: 7441

A well-known statistician presents his theory that extraordinary and rare events are actually commonplace and cites stories of two-time lottery winners and other bizarre coincidences to support his theory that unlikely events statistically must happen. 50,000 first printing.

Simulating Enzyme Reactivity

Author: Inaki Tunon,Vicent Moliner

Publisher: Royal Society of Chemistry

ISBN: 1782626832

Category: Science

Page: 535

View: 1631

The simulation of enzymatic processes is a well-established field within computational chemistry, as demonstrated by the 2013 Nobel Prize in Chemistry. It has been attracting increasing attention in recent years due to the potential applications in the development of new drugs or new environmental-friendly catalysts. Featuring contributions from renowned authors, including Nobel Laureate Arieh Warshel, this book explores the theories, methodologies and applications in simulations of enzyme reactions. It is the first book offering a comprehensive perspective of the field by examining several different methodological approaches and discussing their applicability and limitations. The book provides the basic knowledge for postgraduate students and researchers in chemistry, biochemistry and biophysics, who want a deeper understanding of complex biological process at the molecular level.

Chemical Reaction Kinetics

Concepts, Methods and Case Studies

Author: Jorge Ancheyta

Publisher: John Wiley & Sons

ISBN: 1119226651

Category: Science

Page: 304

View: 2965

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.

The General Theory of Employment, Interest, and Money

Author: John Maynard Keynes

Publisher: Springer

ISBN: 3319703447

Category: Business & Economics

Page: 404

View: 8013

This book was originally published by Macmillan in 1936. It was voted the top Academic Book that Shaped Modern Britain by Academic Book Week (UK) in 2017, and in 2011 was placed on Time Magazine's top 100 non-fiction books written in English since 1923. Reissued with a fresh Introduction by the Nobel-prize winner Paul Krugman and a new Afterword by Keynes’ biographer Robert Skidelsky, this important work is made available to a new generation. The General Theory of Employment, Interest and Money transformed economics and changed the face of modern macroeconomics. Keynes’ argument is based on the idea that the level of employment is not determined by the price of labour, but by the spending of money. It gave way to an entirely new approach where employment, inflation and the market economy are concerned. Highly provocative at its time of publication, this book and Keynes’ theories continue to remain the subject of much support and praise, criticism and debate. Economists at any stage in their career will enjoy revisiting this treatise and observing the relevance of Keynes’ work in today’s contemporary climate.

Computer Simulations in Condensed Matter: From Materials to Chemical Biology

Author: Mauro Ferrario,Giovanni Ciccotti,Kurt Binder

Publisher: Springer Science & Business Media

ISBN: 354035283X

Category: Science

Page: 592

View: 8271

This extensive and comprehensive collection of lectures by world-leading experts in the field introduces and reviews all relevant computer simulation methods and their applications in condensed matter systems. Volume 2 offers surveys on numerical experiments carried out for a great number of systems, ranging from materials sciences to chemical biology, including supercooled liquids, spin glasses, colloids, polymers, liquid crystals, biological membranes and folding proteins.

Rare Earth

Why Complex Life is Uncommon in the Universe

Author: Peter D. Ward,Donald Brownlee

Publisher: Springer

ISBN: 0387218483

Category: Science

Page: 338

View: 9105

What determines whether complex life will arise on a planet, or even any life at all? Questions such as these are investigated in this groundbreaking book. In doing so, the authors synthesize information from astronomy, biology, and paleontology, and apply it to what we know about the rise of life on Earth and to what could possibly happen elsewhere in the universe. Everyone who has been thrilled by the recent discoveries of extrasolar planets and the indications of life on Mars and the Jovian moon Europa will be fascinated by Rare Earth, and its implications for those who look to the heavens for companionship.

Reaction In Condensed Phases

Author: Henry Eyring

Publisher: Elsevier

ISBN: 0323142397

Category: Science

Page: 816

View: 6747

Physical Chemistry: An Advanced Treatise: Reactions in Condensed Phases, Volume VII, deals with reactions in condensed phases. The purpose of this treatise is to present a comprehensive treatment of physical chemistry for advanced students and investigators in a reasonably small number of volumes. An attempt has been made to include all important topics in physical chemistry together with borderline subjects which are of particular interest and importance. The book begins by discussing the basic principles of reaction rates in solution. This is followed by separate chapters on estimating the rate parameters of elementary reactions; the use of correlation diagrams to interpret organic reactions; perturbation of reaction rates by substituents; and inorganic reactions. Subsequent chapters cover the important field of free radicals, including chain reactions and solvent effects; heterogeneous catalysis; various types of surface reactions; surface annealing; electron reactions; nucleation; and radiation chemistry. The book presents a broad picture of current developments in reaction rates in condensed phases in a form accessible to all students of chemical kinetics. This treatment, by experts in widely different areas, will hopefully meet many student needs and provide a useful overview for all.

Chemical Kinetics and Transport

Author: Peter Jordan

Publisher: Springer Science & Business Media

ISBN: 1461590981

Category: Science

Page: 368

View: 6360

This book began as a program of self-education. While teaching under graduate physical chemistry, I became progressively more dissatisfied with my approach to chemical kinetics. The solution to my problem was to write a detailed set of lecture notes which covered more material, in greater depth, than could be presented in undergraduate physical chemistry. These notes are the foundation upon which this book is built. My background led me to view chemical kinetics as closely related to transport phenomena. While the relationship of these topics is well known, it is often ignored, except for brief discussions of irreversible thermody namics. In fact, the physics underlying such apparently dissimilar processes as reaction and energy transfer is not so very different. The intermolecular potential is to transport what the potential-energy surface is to reactivity. Instead of beginning the sections devoted to chemical kinetics with a discussion of various theories, I have chosen to treat phenomenology and mechanism first. In this way the essential unity of kinetic arguments, whether applied to gas-phase or solution-phase reaction, can be emphasized. Theories of rate constants and of chemical dynamics are treated last, so that their strengths and weaknesses may be more clearly highlighted. The book is designed for students in their senior year or first year of graduate school. A year of undergraduate physical chemistry is essential preparation. While further exposure to chemical thermodynamics, statistical thermodynamics, or molecular spectroscopy is an asset, it is not necessary.

And the Band Played On

Politics, People, and the AIDS Epidemic, 20th-Anniversary Edition

Author: Randy Shilts

Publisher: St. Martin's Griffin

ISBN: 9781429930390

Category: History

Page: 656

View: 3228

Upon it's first publication twenty years ago, And The Band Played on was quickly recognized as a masterpiece of investigative reporting. An international bestseller, a nominee for the National Book Critics Circle Award, and made into a critically acclaimed movie, Shilts' expose revealed why AIDS was allowed to spread unchecked during the early 80's while the most trusted institutions ignored or denied the threat. One of the few true modern classics, it changed and framed how AIDS was discussed in the following years. Now republished in a special 20th Anniversary edition, And the Band Played On remains one of the essential books of our time.

Stumbling on Happiness

Author: Daniel Gilbert

Publisher: Vintage Canada

ISBN: 0307371360

Category: Psychology

Page: 336

View: 9478

A smart and funny book by a prominent Harvard psychologist, which uses groundbreaking research and (often hilarious) anecdotes to show us why we’re so lousy at predicting what will make us happy – and what we can do about it. Most of us spend our lives steering ourselves toward the best of all possible futures, only to find that tomorrow rarely turns out as we had expected. Why? As Harvard psychologist Daniel Gilbert explains, when people try to imagine what the future will hold, they make some basic and consistent mistakes. Just as memory plays tricks on us when we try to look backward in time, so does imagination play tricks when we try to look forward. Using cutting-edge research, much of it original, Gilbert shakes, cajoles, persuades, tricks and jokes us into accepting the fact that happiness is not really what or where we thought it was. Among the unexpected questions he poses: Why are conjoined twins no less happy than the general population? When you go out to eat, is it better to order your favourite dish every time, or to try something new? If Ingrid Bergman hadn’t gotten on the plane at the end of Casablanca, would she and Bogey have been better off? Smart, witty, accessible and laugh-out-loud funny, Stumbling on Happiness brilliantly describes all that science has to tell us about the uniquely human ability to envision the future, and how likely we are to enjoy it when we get there. From the Hardcover edition.

Superforecasting

The Art and Science of Prediction

Author: Philip E. Tetlock,Dan Gardner

Publisher: Crown

ISBN: 080413670X

Category: Business & Economics

Page: 352

View: 6342

A New York Times Bestseller An Economist Best Book of 2015 "The most important book on decision making since Daniel Kahneman's Thinking, Fast and Slow." —Jason Zweig, The Wall Street Journal Everyone would benefit from seeing further into the future, whether buying stocks, crafting policy, launching a new product, or simply planning the week’s meals. Unfortunately, people tend to be terrible forecasters. As Wharton professor Philip Tetlock showed in a landmark 2005 study, even experts’ predictions are only slightly better than chance. However, an important and underreported conclusion of that study was that some experts do have real foresight, and Tetlock has spent the past decade trying to figure out why. What makes some people so good? And can this talent be taught? In Superforecasting, Tetlock and coauthor Dan Gardner offer a masterwork on prediction, drawing on decades of research and the results of a massive, government-funded forecasting tournament. The Good Judgment Project involves tens of thousands of ordinary people—including a Brooklyn filmmaker, a retired pipe installer, and a former ballroom dancer—who set out to forecast global events. Some of the volunteers have turned out to be astonishingly good. They’ve beaten other benchmarks, competitors, and prediction markets. They’ve even beaten the collective judgment of intelligence analysts with access to classified information. They are "superforecasters." In this groundbreaking and accessible book, Tetlock and Gardner show us how we can learn from this elite group. Weaving together stories of forecasting successes (the raid on Osama bin Laden’s compound) and failures (the Bay of Pigs) and interviews with a range of high-level decision makers, from David Petraeus to Robert Rubin, they show that good forecasting doesn’t require powerful computers or arcane methods. It involves gathering evidence from a variety of sources, thinking probabilistically, working in teams, keeping score, and being willing to admit error and change course. Superforecasting offers the first demonstrably effective way to improve our ability to predict the future—whether in business, finance, politics, international affairs, or daily life—and is destined to become a modern classic. From the Hardcover edition.

Rare Earths

Science, Technology, Production and Use

Author: Jacques Lucas,Pierre Lucas,Thierry Le Mercier,Alain Rollat,William G. Davenport

Publisher: Elsevier

ISBN: 0444627448

Category: Technology & Engineering

Page: 410

View: 2743

High-technology and environmental applications of the rare-earth elements (REE) have grown dramatically in diversity and importance over the past four decades. This book provides a scientific understanding of rare earth properties and uses, present and future. It also points the way to efficient recycle of the rare earths in end-of-use products and efficient use of rare earths in new products. Scientists and students will appreciate the book's approach to the availability, structure and properties of rare earths and how they have led to myriad critical uses, present and future. Experts should buy this book to get an integrated picture of production and use (present and future) of rare earths and the science behind this picture. This book will prove valuable to.non-scientists as well in order to get an integrated picture of production and use of rare earths in the 21st Century, and the science behind this picture. Defines the chemical, physical and structural properties of rare earths. Gives the reader a basic understanding of what rare earths can do for us. Describes uses of each rare earth with chemical, physics, and structural explanations for the properties that underlie those uses. Allows the reader to understand how rare earths behave and why they are used in present applications and will be used in future applications. Explains to the reader where and how rare earths are found and produced and how they are best recycled to minimize environmental impact and energy and water consumption.

The Lessons of History

Author: Will Durant,Ariel Durant

Publisher: Simon and Schuster

ISBN: 1439170193

Category: History

Page: 128

View: 3779

A concise survey of the culture and civilization of mankind, The Lessons of History is the result of a lifetime of research from Pulitzer Prize–winning historians Will and Ariel Durant. With their accessible compendium of philosophy and social progress, the Durants take us on a journey through history, exploring the possibilities and limitations of humanity over time. Juxtaposing the great lives, ideas, and accomplishments with cycles of war and conquest, the Durants reveal the towering themes of history and give meaning to our own.

Gas Phase Ion Chemistry

Author: Michael T. Bowers

Publisher: Academic Press

ISBN: 1483216497

Category: Science

Page: 362

View: 7022

Gas Phase Ion Chemistry, Volume 2 covers the advances in gas phase ion chemistry. The book discusses the stabilities of positive ions from equilibrium gas-phase basicity measurements; the experimental methods used to determine molecular electron affinities, specifically photoelectron spectroscopy, photodetachment spectroscopy, charge transfer, and collisional ionization; and the gas-phase acidity scale. The text also describes the basis of the technique of chemical ionization mass spectrometry; the energetics and mechanisms of unimolecular reactions of positive ions; and the photodissociation of gas-phase ions. The applications of molecular beam techniques to the study of ion-molecule collisions; as well as the variational treatment of charge transfer reactions are also encompassed. Chemists and biochemists will find the book invaluable.

Folk Devils and Moral Panics

Author: Stanley Cohen

Publisher: Taylor & Francis

ISBN: 1136807047

Category: Social Science

Page: 328

View: 7789

'Richly documented and convincingly presented' -- New Society Mods and Rockers, skinheads, video nasties, designer drugs, bogus asylum seeks and hoodies. Every era has its own moral panics. It was Stanley Cohen’s classic account, first published in the early 1970s and regularly revised, that brought the term ‘moral panic’ into widespread discussion. It is an outstanding investigation of the way in which the media and often those in a position of political power define a condition, or group, as a threat to societal values and interests. Fanned by screaming media headlines, Cohen brilliantly demonstrates how this leads to such groups being marginalised and vilified in the popular imagination, inhibiting rational debate about solutions to the social problems such groups represent. Furthermore, he argues that moral panics go even further by identifying the very fault lines of power in society. Full of sharp insight and analysis, Folk Devils and Moral Panics is essential reading for anyone wanting to understand this powerful and enduring phenomenon. Professor Stanley Cohen is Emeritus Professor of Sociology at the London School of Economics. He received the Sellin-Glueck Award of the American Society of Criminology (1985) and is on the Board of the International Council on Human Rights. He is a member of the British Academy.

Antifragile

Things that Gain from Disorder

Author: Nassim Nicholas Taleb

Publisher: Random House Incorporated

ISBN: 0812979680

Category: Business & Economics

Page: 519

View: 5248

Shares insights into how adversity can bring out the best in individuals and communities, drawing on multiple disciplines to consider such topics as the superiority of city states over nation states and the drawbacks of debt.