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Fundamental chemical kinetics : an explanatory introduction to the concepts /
The unusual approach of this text gives final honours and post-graduate students a clear and explanatory account of one of the "harderi areas of physical chemistry. The author takes care to provide detailed verbal clarification of the concepts and their importance together with full explanation...
| Clasificación: | Libro Electrónico |
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| Autor principal: | |
| Formato: | Electrónico eBook |
| Idioma: | Inglés |
| Publicado: |
Cambridge, England ; Philadelphia, Pennsylvania ; New Delhi, India :
Woodhead Publishing,
2011.
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| Temas: | |
| Acceso en línea: | Texto completo |
Tabla de Contenidos:
- Front Cover; Fundamental Chemical Kinetics: An Explanatory Introduction to the Concepts; About the Author; Fundamental Chemical Kinetics: An Explanatory Introduction to the Concepts; Copyright Page; Dedication; Preface; Acknowledgements; Table of Contents; Chapter 1. Introduction: Historical Developments and Modern Kinetics; 1.1 A historical development of concepts in kinetics; 1.2 Concepts involved in modem state to state kinetics; 1.3 Collision processes and a master mechanism describing elementary reactions at the microscopic level
- 1.4 Kinetics of uni-, bi-, and termolecular reactions using the master mechanism1.5 A generalisation of these ideas; Chapter 2. Basic Transition State Theory; 2.2 Properties of the potential energy surface relevant to transition state theory: Figure 2.1; 2.3 Major Assumptions of Transition State Theory; 2.4 Derivation of the rate of reaction; 2.5 Approximate calculations; 2.6 Thermodynamic formulations of transition state theory; Chapter 3. Advanced Transition State Theory; 3.1 The assumptions of transition state theory reassessed; 3.2 Symmetry Numbers and Statistical Factors
- 3.3 Advances in transition state theory3.4 Quantum Transition State Theory; Chapter 4. Basic Unimolecular Theory; 4.1 Experimental observations and manipulation of experimental data; 4.2 Significance and physical interpretation of the three rate constants in the general mechanism; 4.4 Aspects of vibrations used in unimolecular theory; 4.5 Mathematical tools used in unimolecular theory; 4.6 Uoimolecular theories; 4.7 The simple Lindemann treatment; 4.8 Hinshelwood's Theory; 4.9 Kassel's Theory; 4.10 Kassel's Quantum Theory; Chapter 5. Advanced Unimolecular Theory
- 5.1 Marcus' theory, or Rice, Ramsperger, Kassel, Marcus (RRKM) theory5.2 Adiabatic channel theory: Quack and Troe; 5.3 Slater's theory; Chapter 6. Potential Energy Surfaces; 6.1 Quantum ab initio calculations; 6.2 Semi-empirical calculations; 6.3 Potential energy contour diagrams and profiles; 6.4 Molecular dynamics; 6.5 Trajectory calculations; 6.6 Testing of predictions of transition state theory; 6.7 Reaction in terms of mass type; 6.8 Exothermic and endothermic reactions; 6.9 More detailed aspects of the features of different types of potential energy barriers
- 6.10 General features of attractive potential energy surfaces for exothermic reactions6.11 General features of repulsive energy surfaces for exothermic reactions; 6.12 General features of repulsive potential energy surfaces where the attacking atom is light; 6.13 General features of repulsive potential energy surfaces for exothermic reactions where the attacking atom is heavy; 6.14 Other mass type reactions; 6.15 Less extreme barriers; 6.16 Typical reactions for which a correlation of potential energy surfaces and trajectory calculations has been made with molecular beam experiments