Kinetics And Dynamics Of Elementary Gas Reactions

Kinetics and Dynamics of Elementary Gas Reactions surveys the state of modern knowledge on elementary gas reactions to understand natural phenomena in terms of molecular behavior. Part 1 of this book describes the theoretical and conceptual background of elementary gas-phase reactions, emphasizing the assumptions and limitations of each theoretical approach, as well as its strengths. In Part 2, selected experimental results are considered to demonstrate the scope of present day techniques and illustrate the application of the theoretical ideas introduced in Part 1. This publication is intended primarily for working kineticists and chemists, but is also beneficial to graduate students.

The present monograph appears after the death of Professor V. N. Kondratiev, one of those scientists who have greatly contributed to the foundation of contem porary gas kinetics. The most fundamental idea of chemical kinetics, put for ward at the beginning of the twentieth century and connected with names such as W. Nernst, M. Bodenstein, N. N. Semenov, and C. N. Hinshelwood, was that the complex chemical reactions are in fact a manifestation of a set of simpler elementary reactions involving but a small number of species. V. N. Kondratiev was one of the first to adopt this idea and to start investigations on the elementary chemical reactions proper. These investigations revealed explicitly that every elementary reaction in turn consisted of many elementary events usually referred to as elementary processes. It took some time to realize that an elementary reaction, represented in a very simple way by a macroscopic kinetic equation, can be described on a microscopic level by a generalized Boltzmann equation. Neverheless, up to the middle of the twentieth century, gas kinetics was mainly concerned with the interpretation of complex chemical reactions via a set of elementary reactions. But later on, the situation changed drastically. First, the conditions for reducing microscopic cquations to macroscopic ones were clearly set up. These are essentially based on the fact that the small perturbations of the Maxwell-Boltzmann distribution are caused by the reaction proper.

This text gives a concise account of the dynamics and kinetics of elementary reactions in the gas phase, and is structured to emphasize the relationship between thermal rate coefficients and the microscopic mechanisms of chemical reactions.

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

Reactions Kinetics: Volume I: Homogeneous Gas Reactions presents a general introduction to the subject of kinetics, including the basic laws of kinetics and the theoretical treatment of reaction rates. This four-chapter book deals mainly with homogeneous reactions in the gas phase. Chapter 1 presents the kinetic laws based on experimental results in terms of their simple concepts, with a special consideration of the way in which rates depend on concentration, while Chapter 2 deals with the interpretation of rates in terms of more fundamental theories. Chapter 3 covers the overall reactions that are believed to be elementary, such as the reaction between hydrogen and iodine, the reverse decomposition of hydrogen iodide, the corresponding reactions involving deuterium instead of hydrogen, and the dimerizations of butadiene and cyclopentadiene, as well as a few elementary termolecular reactions, all involving nitric oxide. This chapter also includes a general account of some of the elementary reactions that occur as steps in more complex mechanisms. Chapter 4 examines the reaction rates of numerous complex gas reactions. Undergraduate physical chemistry and chemical kinetics students, as well as advanced students in other fields, such as biology and physics, will find this book invaluable.

Modeling of Chemical Reactions covers detailed chemical kinetics models for chemical reactions. Including a comprehensive treatment of pressure dependent reactions, which are frequently not incorporated into detailed chemical kinetic models, and the use of modern computational quantum chemistry, which has recently become an extraordinarily useful component of the reaction kinetics toolkit. It is intended both for those who need to model complex chemical reaction processes but have little background in the area, and those who are already have experience and would benefit from having a wide range of useful material gathered in one volume. The range of subject matter is wider than that found in many previous treatments of this subject. The technical level of the material is also quite wide, so that non-experts can gain a grasp of fundamentals, and experts also can find the book useful. A solid introduction to kinetics Material on computational quantum chemistry, an important new area for kinetics Contains a chapter on construction of mechanisms, an approach only found in this book