Chemical Reaction Kinetics

Preface Chapter 1. Fundamentals of chemical reaction kinetics 1.1. Concepts of stoichiometry 1.1.1. Stoichiometric number and coefficient 1.1.2. Molecularity 1.1.3. Reaction extent 1.1.4. Molar conversion 1.1.5. Types of feed composition in a chemical reaction 1.1.6. Limiting reactant 1.1.7. Molar balance in a chemical reaction 1.1.8. Relationship between conversion and physical properties of the reacting system 1.2. Reacting systems 1.2.1. Mole fraction, weight fraction and molar concentration 1.2.2. Partial pressure 1.2.3. Isothermal systems at constant density 1.2.4. Isothermal systems at variable density 1.2.5. General case of reacting systems 1.2.6. Kinetic point of view of the chemical equilibrium 1.3. Concepts of chemical kinetics 1.3.1. Rate of homogeneous reactions 1.3.2. Power law 1.3.3. Elemental and non-elemental reactions 1.3.4. Comments on the concepts of molecularity and reaction order 1.3.5. Dependency of k with temperature 1.4. Description of ideal reactors 1.4.1. Batch reactor 1.4.2. Continuous reactors Chapter 2. Irreversible reactions of one component 2.1. Integral method 2.1.1. Reactions of zero order 2.1.2. Reactions of first order 2.1.3. Reaction of second order 2.1.4. Reactions of nth order 2.2. Differential method 2.2.1. Numerical differentiation 2.2.2. Graphical differentiation 2.3. Method of total pressure 2.3.1. Reactions of zero order 2.3.2. Reactions of first order 2.3.3. Reactions of second order 2.3.4. Reactions of nth order 2.3.5. Differential method with data of total pressure 2.4. Method of the half-life time 2.4.1. Reactions of zero order 2.4.2. Reactions of first order 2.4.3. Reaction of second order 2.4.4. Reaction of nth order 2.4.5. Direct method to calculate k and n with data of t1/2 2.4.6. Extension of the method of half-life time (t1/2) to any fractional life time (t1/m) 2.4.7. Calculation of activation energy with data of half-life time 2.4.8. Some observations of the method of half-life time Chapter 3. Irreversible reactions with two or three components 3.1. Irreversible reactions with two components 3.1.1. Integral method 3.1.2. Differential method 3.1.3. Method of initial reaction rates 3.2. Irreversible reactions between three components Chapter 4. Reversible reactions 4.1. Reversible reactions of first order 4.2. Reversible reactions of second order 4.3. Reversible reactions with combined orders Chapter 5. Complex reactions 5.1. Yield and selectivity 5.2. Simultaneous or parallel irreversible reactions 5.2.1. Simultaneous reactions with the same order 5.2.2. Simultaneous reactions with combined orders 5.3. Consecutive or in series irreversible reactions 5.3.1. Consecutive reactions with the same order 5.3.2. Consecutive reactions with combined orders Chapter 6. Special topics in kinetic modeling 6.1. Data reconciliation 6.1.1. Data reconciliation method 6.1.2. Results and discussion 6.1.3. Conclusions 6.2. Methodology for sensitivity analysis of parameters 6.2.1. Description of the method 6.2.2. Results and discussion 6.2.3. Conclusions 6.3. Methods for determining rate coefficients in enzymatic catalyzed reactions 6.3.1. The model of Michaelis-Menten 6.3.2. Methods to determine the rate coefficients of the Michaelis-Menten equation 6.3.3. Application of the methods 6.3.4. Discussion of results 6.3.5. Conclusions 6.4. A simple method for estimating gasoline, gas and coke yields in FCC processes 6.4.1. Introduction 6.4.2. Methodology 6.4.3. Results and discussion 6.4.4 Conclusions 6.5. Estimation of activation energies during hydrodesulfurization of middle distillates 6.5.1. Introduction 6.5.2. Experimental 6.5.3. Results and discussion 6.5.4. Conclusions Problems References Nomenclature

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• Engenharia química
• Química física