Studies in Chemical Dynamics
Author : Jacobus Henricus Hoff
Publisher :
Page : 314 pages
File Size : 36,68 MB
Release : 1896
Category : Chemical equilibrium
ISBN :
Author : Jacobus Henricus Hoff
Publisher :
Page : 314 pages
File Size : 36,68 MB
Release : 1896
Category : Chemical equilibrium
ISBN :
Author : Rainer A. Dressler
Publisher : World Scientific
Page : 644 pages
File Size : 39,59 MB
Release : 2001
Category : Science
ISBN : 9789812811882
As computing power increases, a growing number of macroscopic phenomena are modeled at the molecular level. Consequently, new requirements are generated for the understanding of molecular dynamics in exotic conditions. This book illustrates the importance of detailed chemical dynamics and the role it plays in the phenomenology of a number of extreme environments. Each chapter addresses one or more extreme environments, outlines the associated chemical mechanisms of relevance, and then covers the leading edge science that elucidates the chemical coupling. The chapters exhibit a balance between theory and experiment, gas phase, solid state, and surface dynamics, and geophysical and technical environments. Sample Chapter(s). Chapter 1.1: Introduction (203 KB). Chapter 1.2: Chemistry at High Temperatures and Pressures (99 KB). Chapter 1.3: High Temperature Chemistry in the Atmosphere (82 KB). Chapter 1.4: Low Temperature Chemistry (90 KB). Chapter 1.5: Conclusions (131 KB). Contents: Exploring Chemistry in Extreme Environments: A Driving Force for Innovation (M R Berman); Chemistry Under Extreme Conditions: Cluster Impact Activation (T Raz & R D Levine); Nonequilibrium Chemistry Modeling in Rarefied Hypersonic Flows (I D Boyd); Chemical Dynamics in Chemical Laser Media (M C Heaven); From Elementary Reactions to Complex Combustion Systems (C Schulz et al.); The Gas-Phase Chemical Dynamics Associated with Meteors (R A Dressler & E Murad); Dynamics of Hypervelocity Gas/Surface Collisions (D C Jacobs); Surface Chemistry in the Jovian Magnetosphere Radiation Environment (R E Johnson); Dynamics of Atomic Oxygen Induced Polymer Degradation in Low Earth Orbit (T K Minton & D J Garton); Atomic-Level Properties of Thermal Barrier Coatings: Characterization of MetalOCoCeramic Interface (A Christensen et al.); Molecular Dynamics Simulations of Detonations (C T White et al.). Readership: Scientists engaged in cross-disciplinary work and chemists studying multidisciplinary problems."
Author : Santosh K. Upadhyay
Publisher : Springer Science & Business Media
Page : 256 pages
File Size : 43,9 MB
Release : 2007-04-29
Category : Science
ISBN : 1402045476
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.
Author : Niels E. Henriksen
Publisher : Oxford University Press, USA
Page : 391 pages
File Size : 14,61 MB
Release : 2008
Category : Science
ISBN : 0199203865
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.
Author : Jeffrey I. Steinfeld
Publisher : Pearson
Page : 536 pages
File Size : 31,57 MB
Release : 1999
Category : Science
ISBN :
This text presents a balanced presentation of the macroscopic view of empirical kinetics and the microscopic molecular viewpoint of chemical dynamics. This second edition includes the latest information, as well as new topics such as heterogeneous reactions in atmospheric chemistry, reactant product imaging, and molecular dynamics of H + H2.
Author : Irving R. Epstein
Publisher : Oxford University Press
Page : 407 pages
File Size : 14,74 MB
Release : 1998-10-22
Category : Science
ISBN : 0198025661
Just a few decades ago, chemical oscillations were thought to be exotic reactions of only theoretical interest. Now known to govern an array of physical and biological processes, including the regulation of the heart, these oscillations are being studied by a diverse group across the sciences. This book is the first introduction to nonlinear chemical dynamics written specifically for chemists. It covers oscillating reactions, chaos, and chemical pattern formation, and includes numerous practical suggestions on reactor design, data analysis, and computer simulations. Assuming only an undergraduate knowledge of chemistry, the book is an ideal starting point for research in the field. The book begins with a brief history of nonlinear chemical dynamics and a review of the basic mathematics and chemistry. The authors then provide an extensive overview of nonlinear dynamics, starting with the flow reactor and moving on to a detailed discussion of chemical oscillators. Throughout the authors emphasize the chemical mechanistic basis for self-organization. The overview is followed by a series of chapters on more advanced topics, including complex oscillations, biological systems, polymers, interactions between fields and waves, and Turing patterns. Underscoring the hands-on nature of the material, the book concludes with a series of classroom-tested demonstrations and experiments appropriate for an undergraduate laboratory.
Author : John Ingham
Publisher : John Wiley & Sons
Page : 640 pages
File Size : 24,78 MB
Release : 2008-02-08
Category : Technology & Engineering
ISBN : 3527614222
In this book, the modelling of dynamic chemical engineering processes is presented in a highly understandable way using the unique combination of simplified fundamental theory and direct hands-on computer simulation. The mathematics is kept to a minimum, and yet the nearly 100 examples supplied on www.wiley-vch.de illustrate almost every aspect of chemical engineering science. Each example is described in detail, including the model equations. They are written in the modern user-friendly simulation language Berkeley Madonna, which can be run on both Windows PC and Power-Macintosh computers. Madonna solves models comprising many ordinary differential equations using very simple programming, including arrays. It is so powerful that the model parameters may be defined as "sliders", which allow the effect of their change on the model behavior to be seen almost immediately. Data may be included for curve fitting, and sensitivity or multiple runs may be performed. The results can be seen simultaneously on multiple-graph windows or by using overlays. The resultant learning effect of this is tremendous. The examples can be varied to fit any real situation, and the suggested exercises provide practical guidance. The extensive experience of the authors, both in university teaching and international courses, is reflected in this well-balanced presentation, which is suitable for the teacher, the student, the chemist or the engineer. This book provides a greater understanding of the formulation and use of mass and energy balances for chemical engineering, in a most stimulating manner. This book is a third edition, which also includes biological, environmental and food process examples.
Author : Paul L. Houston
Publisher : Courier Corporation
Page : 354 pages
File Size : 12,57 MB
Release : 2012-10-10
Category : Science
ISBN : 0486131696
DIVThis text teaches the principles underlying modern chemical kinetics in a clear, direct fashion, using several examples to enhance basic understanding. Solutions to selected problems. 2001 edition. /div
Author : Perla Balbuena
Publisher : Elsevier
Page : 971 pages
File Size : 32,43 MB
Release : 1999-04-22
Category : Science
ISBN : 0080536840
The latest developments in quantum and classical molecular dynamics, related techniques, and their applications to several fields of science and engineering. Molecular simulations include a broad range of methodologies such as Monte Carlo, Brownian dynamics, lattice dynamics, and molecular dynamics (MD).Features of this book:• Presents advances in methodologies, introduces quantum methods and lists new techniques for classical MD• Deals with complex systems: biomolecules, aqueous solutions, ice and clathrates, liquid crystals, polymers• Provides chemical reactions, interfaces, catalysis, surface phenomena and solidsAlthough the book is not formally divided into methods and applications, the chapters are arranged starting with those that discuss new algorithms, methods and techniques, followed by several important applications.
Author : Baron Peters
Publisher : Elsevier
Page : 636 pages
File Size : 25,82 MB
Release : 2017-03-22
Category : Technology & Engineering
ISBN : 0444594701
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