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Contents
Chapter 1: Elements of Reaction Kinetics
1.1 Definitions of Chemical Rates
1.1.1 Rates of Disappearance of Reactants and of Formation of Products
1.1.2 The Rate of a Reaction
1.2 Rate Equations
1.2.1 General Structure
1.2.2 Influence of Temperature
1.2.3 Typical Rate Equations for Simple Reactions
1.2.4 Kinetic Analysis
1.3 Coupled Reactions
1.3.1 Parallel Reactions
1.3.2 Consecutive Reactions
1.3.3 Mixed Parallel-Consecutive Reactions
1.4 Reducing the Size of Kinetic Models
1.4.1 Steady State Approximation
1.4.2 Rate Determining Step of a Sequence of Reactions
1.5 Bio-Kinetics
1.5.1 Enzymatic Kinetics
1.5.2 Microbial Kinetics
1.6 Complex Reactions
1.6.1 Radical Reactions for the Thermal Cracking for Olefins Production
1.6.2 Free Radical Polymerization
1.7 Modeling the Rate Coefficient
1.7.1 Transition State Theory
1.7.2 Quantum Mechanics. The Schrödinger Equation
1.7.3 Density Functional Theory
Chapter 2: Kinetics of Heterogeneous Catalytic Reactions
2.1 Introduction
2.2 Adsorption on Solid Catalysts
2.3 Rate Equations
2.3.1 Single Reactions
2.3.2 Coupled Reactions
2.3.3 Some Further Thoughts on the Hougen-Watson Rate Equations
2.4 Complex Catalytic Reactions
2.4.1 The Kinetic Modeling of Commercial Catalytic Processes
2.4.2 Generation of the Network of Elementary Steps
2.4.3 Modeling of the Rate Parameters
2.4.4 Application to Hydrocracking
2.5 Experimental Reactors
2.6 Model Discrimination and Parameter Estimation
2.6.1 The Differential Method of Kinetic Analysis
2.6.2 The Integral Method of Kinetic Analysis
2.6.3 Parameter Estimation and Statistical Testing of Models and Parameters in Single Reactions
2.6.4 Parameter Estimation and Statistical Testing of Models and Parameters in Multiple Reactions
2.6.5 Physicochemical Tests on the Parameters
2.7 Sequential Design of Experiments
2.7.1 Sequential Design for Optimal Discrimination between Rival Models
2.7.2 Sequential Design for Optimal Parameter Estimation
2.8 Expert Systems in Kinetics Studies
Chapter 3: Transport Processes with Reactions Catalyzed by Solids
PART ONE: INTERFACIAL GRADIENT EFFECTS
3.1 Reaction of a Component of a Fluid at the Surface of a Solid
3.2 Mass and Heat Transfer Resistances
3.3 Concentration or Partial Pressure and Temperature Differences Between Bulk Fluid and Surface of a Catalyst Particle
PART TWO: INTRAPARTICLE GRADIENT EFFECTS
3.4 Molecular, Knudsen, and Surface Diffusion in Pores
3.5 Diffusion in a Catalyst Particle
3.6 Diffusion and Reaction in a Catalyst Particle. A Continuum Model
3.7 Falsification of Rate Coefficients and Activation Energies by Diffusion Limitations
3.8 Influence of Diffusion Limitations on the Selectivities of Coupled Reactions
3.9 Criteria for the Importance of Intraparticle Diffusion Limitations
3.10 Multiplicity of Steady States in Catalyst Particles
3.11 Combination of External and Internal Diffusion Limitations
3.12 Diagnostic Experimental Criteria for the Absence of Internal and External Mass Transfer Limitations
3.13 Nonisothermal Particles
Chapter 4: Noncatalytic Gas-Solid Reactions
4.1 A Qualitative Discussion of Gas-Solid Reactions
4.2 General Model with Interfacial and Intraparticle Gradients
4.3 Heterogeneous Model with Shrinking Unreacted Core
4.4 Models Accounting Explicitly for the Structure of the Solid
4.5 On the Use of More Complex Kinetic Equations
Chapter 5: Catalyst Deactivation
5.1 Types of Catalyst Deactivation
5.1.1 Solid-State Transformations
5.1.2 Poisoning
5.1.3 Coking
5.2 Kinetics of Catalyst Poisoning
5.2.1 Introduction
5.2.2 Kinetics of Uniform Poisoning
5.2.3 Shell-Progressive Poisoning
5.2.4 Effect of Shell-Progressive Poisoning on the Selectivity of Simultaneous Reactions
5.3 Kinetics of Catalyst Deactivation by Coke Formation
5.3.1 Introduction
5.3.2 Kinetics of Coke Formation
5.3.3 Kinetic Analysis of Deactivation by Coke Formation
5.3.4 Conclusions
Chapter 6: Gas-Liquid Reactions
6.1 Introduction
6.2 Models for Transfer at a Gas-Liquid Interface
6.3 Two-Film Theory
6.3.1 Single Irreversible Reaction with General Kinetics
6.3.2 First-Order and Pseudo-First-Order Irreversible Reactions
6.3.3 Single, Instantaneous, and Irreversible Reactions
6.3.4 Some Remarks on Boundary Conditions and on Utilization and Enhancement Factors
6.3.5 Extension to Reactions with Higher Orders
6.3.6 Coupled Reactions
6.4 Surface Renewal Theory
6.4.1 Single Instantaneous Reactions
6.4.2 Single Irreversible (Pseudo)-First-Order Reactions
6.4.3 Surface Renewal Models with Surface Elements of Limited Thickness
6.5 Experimental Determination of the Kinetics of Gas-Liquid Reactions
6.5.1 Introduction
6.5.2 Determination of kL and AV
6.5.3 Determination of kG and AV
Chapter 7: The Modeling of Chemical Reactors
7.1 Approach
7.2 Aspects of Mass, Heat and Momentum Balances
7.3 The Fundamental Model Equations
7.3.1 The Species Continuity Equations
7.3.2 The Energy Equation
7.3.3 The Momentum Equations
Chapter 8: The Batch and Semibatch Reactors
Introduction
8.1 The Isothermal Batch Reactor
8.2 The Nonisothermal Batch Reactor
8.3 Semibatch Reactor Modeling
8.4 Optimal Operation Policies and Control Strategies
8.4.1 Optimal Batch Operation Time
8.4.2 Optimal Temperature Policies
Chapter 9: The Plug Flow Reactor
9.1 The Continuity, Energy, and Momentum Equations
9.2 Kinetic Studies Using a Tubular Reactor with Plug Flow
9.2.1 Kinetic Analysis of Isothermal Data
9.2.2 Kinetic Analysis of Nonisothermal Data
9.3 Design and Simulation of Tubular Reactors with Plug Flow
9.3.1 Adiabatic Reactor with Plug Flow
9.3.2 Design and Simulation of Non-Isothermal Cracking Tubes for Olefins Production
Chapter 10: The Perfectly Mixed Flow Reactor
10.1 Introduction
10.2 Mass and Energy Balances
10.2.1 Basic Equations
10.2.2 Steady-State Reactor Design
10.3 Design for Optimum Selectivity in Simultaneous Reactions
10.3.1 General Considerations
10.3.2 Polymerization in Perfectly Mixed Flow Reactors
10.4 Stability of Operation and Transient Behavior
10.4.1 Stability of Operation
10.4.2 Transient Behavior
Chapter 11: Fixed Bed Catalytic Reactors
PART ONE: INTRODUCTION
11.1 The Importance and Scale of Fixed Bed Catalytic Processes
11.2 Factors of Progress: Technological Innovations and Increased Fundamental Insight
11.3 Factors Involved in the Preliminary Design of Fixed Bed Reactors
11.4 Modeling of Fixed Bed Reactors
PART TWO: PSEUDOHOMOGENEOUS MODELS
11.5 The Basic One-Dimensional Model
11.6 One-Dimensional Model with Axial Mixing
11.7 Two-Dimensional Pseudohomogeneous Models
PART THREE: HETEROGENEOUS MODELS
11.8 One-Dimensional Model Accounting for Interfacial Gradients
11.9 One-Dimensional Model Accounting for Interfacial and Intraparticle Gradients
11.10 Two-Dimensional Heterogeneous Models
Chapter 12: Complex Flow Patterns
12.1 Introduction
12.2 Macro- and Micro-Mixing in Reactors
12.3 Models Explicitly Accounting for Mixing
12.4 Micro-Probability Density Function Methods
12.4.1 Micro-PDF Transport Equations
12.4.2 Micro-PDF Methods for Turbulent Flow and Reactions
12.5 Micro-PDF Moment Methods: Computational Fluid Dynamics
12.5.1 Turbulent Momentum Transport. Modeling of the Reynolds-Stresses
12.5.2 Turbulent Transport of Species and Heat. Modeling of the Scalar Flux
12.5.3 Macro-Scale Averaged Reaction Rates
Example 12.5.A Three Dimensional CFD Simulation of Furnace and Reactor Tubes for the Thermal Cracking of Hydrocarbons
12.6 Macro-PDF / Residence Time Distribution Methods
12.6.1 Reactor Scale Balance and Species Continuity Equations
12.6.2 Age Distribution Functions
12.6.3 Flow Patterns Derived from the RTD
12.6.4 Application of RTD to Reactors
12.7 Semi-Empirical Models for Reactors with Complex Flow Patterns
12.7.1 Multi-Zone Models
12.7.2 Axial Dispersion and Tanks-in-Series Models
Chapter 13: Fluidized Bed and Transport Reactors
13.1 Introduction
13.2 Technological Aspects of Fluidized Bed and Riser Reactors
13.2.1 Fluidized Bed Catalytic Cracking
13.2.2 Riser Catalytic Cracking
13.3 Some Features of the Fluidization and Transport of Solids
13.4 Heat Transfer in Fluidized Beds
13.5 Modeling of Fluidized Bed Reactors
13.5.1 Two-Phase Model
13.5.2 Bubble Velocity, Size and Growth
13.5.3 A Hydrodynamic Interpretation of the Interchange Coefficient kı
13.5.4 One-Phase Model
13.6 Modeling of a Transport or Riser Reactor
13.7 Fluidized Bed Reactor Models Considering Detailed Flow Patterns
13.8 Catalytic Cracking of Vacuum Gas Oil
13.8.1 Kinetic Models for the Catalytic Cracking of Vacuum Gas Oil
13.8.2 Simulation of the Catalytic Cracking of Vacuum Gas Oil
13.8.3 Kinetic Models for the Regeneration of a Coked Cracking Catalyst
13.8.4 Simulation of the Regenerator of a Catalytic Cracking Unit
13.8.5 Coupled Simulation of a Fluidized Bed (or Riser) Catalytic Cracker and Regenerator
Chapter 14: Multiphase Flow Reactors
14.1 Types of Multiphase Flow Reactors
14.1.1 Packed Columns
14.1.2 Plate Columns
14.1.3 Empty Columns
14.1.4 Stirred Vessel Reactors
14.1.5 Miscellaneous Reactors
14.2 Design Models for Multiphase Flow Reactors
14.2.1 Gas and Liquid Phases Completely Mixed
14.2.2 Gas and Liquid Phase in Plug Flow
14.2.3 Gas Phase in Plug Flow. Liquid Phase Completely Mixed
14.2.4 An Effective Diffusion Model
14.2.5 A Two-Zone Model
14.2.6 Models Considering Detailed Flow Patterns
14.3 Specific Design Aspects
14.3.1 Packed Absorbers
14.3.2 Two-Phase Fixed Bed Catalytic Reactors with Cocurrent Downflow. “Trickle” Bed Reactors and Packed Downflow Bubble Reactors
14.3.3 Two-Phase Fixed Bed Catalytic Reactors with Cocurrent Upflow. Upflow Packed Bubble Reactors
14.3.4 Plate Columns
14.3.5 Spray Towers
14.3.6 Bubble Reactors
14.3.7 Stirred Vessel Reactors
Author Index
Subject Index
Nội dung
[...]... 410 411 412 418 Chapter 9: The Plug Flow Reactor 9.1 9.2 9.3 The Continuity, Energy, and Momentum Equations Kinetic Studies Using a Tubular Reactor with Plug Flow 9.2.1 Kinetic Analysis of Isothermal Data 9.2.2 Kinetic Analysis of Nonisothermal Data Design and Simulation of Tubular Reactors with Plug Flow 9.3.1 Adiabatic Reactor with Plug Flow 9.3.2 Design and Simulation of Non-Isothermal Cracking... Application of RTD to Reactors 694 Example 12.6.4.A First Order Reaction(s) in 696 Isothermal Completely Mixed Reactors, Plug Flow Reactors, and Series of Completely Stirred Tanks Example 12.6.4.B Second Order Bimolecular 698 Reaction in Isothermal Completely Mixed Reactors and in a Succession of Isothermal Plug Flow and Completely Mixed Reactors: Completely Macro-Mixed versus Completely Macro- and MicroMixed... Cracker and Regenerator 753 753 756 758 762 763 765 Chapter 14: Multiphase Flow Reactors 14.1 14.2 14.3 Types of Multiphase Flow Reactors 780 14.1.1 Packed Columns 780 14.1.2 Plate Columns 782 14.1.3 Empty Columns 782 14.1.4 Stirred Vessel Reactors 783 14.1.5 Miscellaneous Reactors 783 Design Models for Multiphase Flow Reactors 784 14.2.1 Gas and Liquid Phases Completely Mixed 784 14.2.2 Gas and Liquid... Catalytic Reactors with 813 Cocurrent Upflow Upflow Packed Bubble Reactors 14.3.4 Plate Columns 815 Example 14.3.4.A The Simulation or Design of a 818 Plate Column for Absorption and Reaction Example 14.3.4.B The Absorption of CO2 in an 822 Aqueous Solution of Mono- and Diethanolamine (MEA and DEA) 14.3.5 Spray Towers 827 14.3.6 Bubble Reactors 827 Example 14.3.6.A Simulation of a Bubble Column 830 Reactor. .. Pressure Drop in Packed Beds 11.5.2 Design of a Fixed Bed Reactor According to the OneDimensional Pseudohomogeneous Model 11.5.3 Runaway Criteria Example 11.5.3.A Application of the First Runaway Criterion of Van Welsenaere and Froment 11.5.4 The Multibed Adiabatic Reactor 11.5.5 Fixed Bed Reactors with Heat Exchange Between the Feed and Effluent or Between the Feed and Reacting Gas “Autothermal Operation”...Contents — ChemicalReactor Analysis and Design, Third edition G.F Froment, K.B Bischoff, J De Wilde Chapter 1: Elements of Reaction Kinetics 1.1 1.2 1.3 1.4 1.5 1.6 1.7 Definitions of Chemical Rates 1.1.1 Rates of Disappearance of Reactants and of Formation of Products 1.1.2 The Rate of a Reaction Rate Equations 1.2.1 General... Models for Reactors with Complex Flow 699 Patterns 12.7.1 Multi-Zone Models 699 12.7.2 Axial Dispersion and Tanks-in-Series Models 703 Chapter 13: Fluidized Bed and Transport Reactors 13.1 13.2 13.3 13.4 13.5 13.6 13.7 13.8 Introduction Technological Aspects of Fluidized Bed and Riser Reactors 13.2.1 Fluidized Bed Catalytic Cracking 13.2.2 Riser Catalytic Cracking Some Features of the Fluidization and Transport... 439 441 Chapter 10: The Perfectly Mixed Flow Reactor 10.1 10.2 10.3 10.4 Introduction 453 Mass and Energy Balances 454 10.2.1 Basic Equations 454 10.2.2 Steady-State ReactorDesign 455 Design for Optimum Selectivity in Simultaneous Reactions 461 10.3.1 General Considerations 461 10.3.2 Polymerization in Perfectly Mixed Flow Reactors 468 Stability of Operation and Transient Behavior 471 10.4.1 Stability... Oscillations in a Mixed 481 Reactor for the Vapor-Phase Chlorination of Methyl Chloride Chapter 11: Fixed Bed Catalytic Reactors PART ONE INTRODUCTION 11.1 The Importance and Scale of Fixed Bed Catalytic Processes 11.2 Factors of Progress: Technological Innovations and Increased Fundamental Insight 11.3 Factors Involved in the Preliminary Design of Fixed Bed Reactors 11.4 Modeling of Fixed Bed Reactors 503 PART... mixture Weber number, L L ² d p / Ω² L Wj amount of catalyst in bed j of a multibed Wo , W p , adiabatic reactor cost of reactor idle time, reactor charging time WQ , WR reactor discharging time and of reaction time wij weighting factor in objective function (Chapters 1 and 2) wj x price per kmole of chemical species Aj fractional conversion $ kg $/s $/kmol xii x A , xB , x j fractional conversion of . Froment, Gilbert F. Chemical reactor analysis and design. 3rd ed. / Gilbert Froment, Juray DeWilde, and Kenneth Bischoff. p. cm. Includes bibliographical references and index. ISBN 978-0-470-56541-4. (with D.M. Himmelblau) (1968); and Chemical Reactor Analysis and Design , (with G.F. Froment) (1979). He was elected to the National Academy of Engineering in 1988, and he received the 1972 Ebert. Catholique de Louvain. This is the Third Edition of Chemical Reactor Analysis and Design. The first was published by Wiley in 1979 and the second, after a substantial revision, in 1990.