Website Search
Find information on spaces, staff, and services.
Catalog Search
Books
Chemical reactor analysis and design
- Author / Creator
- Available as
- Physical
Details
Checking for availability...
- Creator
- Gilbert F. Froment, Kenneth B. Bischoff, Juray De Wilde
- Format
- Books
- Language
- English
- Contributors
- Publication
-
- Third edition / Gilbert F. Froment, Kenneth B. Bischoff, Juray De Wilde
- Hoboken, N.J. : Wiley, [2011]
- ©2011
- Physical Details
-
- xviii, 860 pages : illustrations ; 26 cm
- ISBNs
- 9780470565414, 0470565411
- OCLC
- ocn608295676
- Includes bibliographical references and index.
- Machine generated contents note: 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 -- Example 1.2.2.A Determination of the Activation Energy -- 1.2.3.Typical Rate Equations for Simple Reactions -- 1.2.3.1.Reversible First-Order Reactions -- 1.2.3.2.Second-Order Reversible Reactions -- 1.2.3.3.Autocatalytic Reactions -- 1.2.4.Kinetic Analysis -- 1.2.4.1.The Differential Method of Kinetic Analysis -- 1.2.4.2.The Integral Method of 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 -- Example 1.6.1.A Activation Energy of a Complex Reaction -- 1.6.2.Free Radical Polymerization Kinetics -- 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 -- 2.1.Introduction -- 2.2.Adsorption on Solid Catalysts -- 2.3.Rate Equations -- 2.3.1.Single Reactions -- Example 2.3.1.A Competitive Hydrogenation 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 -- 2.4.3.1.The Single Event Concept -- 2.4.3.2.The Evans-Polanyi Relationship for the Activation Energy -- 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 -- 2.6.3.1.Models That Are Linear in the Parameters -- 2.6.3.2.Models That Are Nonlinear in the Parameters -- 2.6.4.Parameter Estimation and Statistical Testing of Models and Parameters in Multiple Reactions -- Example 2.6.4.A Benzothiophene Hydrogenolysis -- 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 -- 2.7.1.1.Single Response Case -- Example 2.7.1.1.A Model Discrimination in the Dehydrogenation of 1-Butene into Butadiene -- Example 2.7.1.1.B Ethanol Dehydrogenation: Sequential Discrimination using the Integral Method of Kinetic Analysis -- 2.7.1.2.Multiresponse Case -- 2.7.2.Sequential Design for Optimal Parameter Estimation -- 2.7.2.1.Single Response Models -- 2.7.2.2.Multiresponse Models -- Example 2.7.2.2.A Sequential Design for Optimal Parameter Estimation in Benzothiophene Hydrogenolysis -- 2.8.Expert Systems in Kinetics Studies -- 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 -- 3.2.1.Mass Transfer Coefficients -- 3.2.2.Heat Transfer Coefficients -- 3.2.3.Multicomponent Diffusion in a Fluid -- Example 3.2.3.A Use of a Mean Binary Diffusivity -- 3.3.Concentration or Partial Pressure and Temperature Differences Between Bulk Fluid and Surface of a Catalyst Particle -- Example 3.3.A Interfacial Gradients in Ethanol Dehydrogenation Experiments -- Part Two Intraparticle Gradient Effects -- 3.4.Molecular, Knudsen, and Surface Diffusion in Pores -- 3.5.Diffusion in a Catalyst Particle -- 3.5.1.A Pseudo-Continuum Model -- 3.5.1.1.Effective Diffusivities -- 3.5.1.2.Experimental Determination of Effective Diffusivities of a Component and of the Tortuosity -- Example 3.5.1.2.A Experimental Determination of the Effective Diffusivity of a Component and of the Catalyst Tortuosity by Means of the Packed Column Technique -- Example 3.5.1.2.B Application of the Pellet Technique -- 3.5.2.Structure Models -- 3.5.2.1.The Random Pore Model -- 3.5.2.2.The Parallel Cross-Linked Pore Model -- 3.5.3.Network Models -- 3.5.3.1.A Bethe Tree Model -- 3.5.3.2.Disordered Pore Media -- Example 3.5.A Optimization of Catalyst Pore Structure -- 3.5.4.Diffusion in Zeolites. Configurational Diffusion -- 3.5.4.1.Molecular Dynamics Simulation -- 3.5.4.2.Dynamic Monte-Carlo Simulation -- 3.6.Diffusion and Reaction in a Catalyst Particle. A Continuum Model -- 3.6.1.First-Order Reactions. The Concept of Effectiveness Factor -- 3.6.2.More General Rate Equations. The Generalized Modulus -- Example 3.6.2.A Application of Generalized Modulus for Simple Rate Equations -- 3.6.3.Multiple Reactions -- 3.7.Falsification of Rate Coefficients and Activation Energies by Diffusion Limitations -- Example 3.7.A Effectiveness Factors for Sucrose Inversion in Ion Exchange Resins -- 3.8.Influence of Diffusion Limitations on the Selectivities of Coupled Reactions -- 3.9.Criteria for the Importance of Intraparticle Diffusion Limitations -- Example 3.9.A Application of the Extended Weisz-Prater Criterion -- 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 -- 3.13.1.Thermal Gradients Inside Catalyst Particles -- 3.13.2.External and Internal Temperature Gradients -- Example 3.13.2.A Temperature Gradients Inside the Catalyst Particles in Benzene Hydrogenation -- 4.1.A Qualitative Discussion of Gas-Solid Reactions -- 4.2.General Model with Interfacial and Intraparticle Gradients -- 4.3.Heterogeneous Model with Shrinking U n reacted Core -- Example 4.3.A Combustion of Coke within Porous Catalyst Particles -- 4.4.Models Accounting Explicitly for the Structure of the Solid -- 4.5.On the Use of More Complex Kinetic Equations -- 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 -- 5.3.2.1.Deactivation Functions -- 5.3.2.2.Catalyst Deactivation by Site Coverage Only -- 5.3.2.3.Catalyst Deactivation by Site Coverage and Pore Blockage -- 5.3.2.4.Deactivation by Site Coverage and Pore Blockage in the Presence of Diffusion Limitations -- 5.3.2.5.Deactivation by Site Coverage, Growth of Coke, and Blockage in Networks of Pores -- 5.3.3.Kinetic Analysis of Deactivation by Coke Formation -- Example 5.3.3.A Application to Industrial Processes: Coke Formation in the Dehydrogenation of 1-Butene into Butadiene -- Example 5.3.3.B Application to Industrial Processes: Rigorous Kinetic Equations for Catalyst Deactivation by Coke Deposition in the Dehydrogenation of 1-Butene into Butadiene -- Example 5.3.3.C Application to Industrial Processes: Coke Formation and Catalyst Deactivation in Steam Reforming of Natural Gas -- Example 5.3.3.D Application to Industrial Processes: Coke Formation in the Catalytic Cracking of Vacuum Gas Oil -- 5.3.4.Conclusions -- 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 -- 6.5.4.Specific Equipment -- 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 -- 7.3.1.1.A General Formulation -- 7.3.1.2.Specific Forms -- 7.3.2.The Energy Equation -- 7.3.2.1.A General Formulation -- 7.3.2.2.Specific Forms -- 7.3.3.The Momentum Equations -- Introduction -- 8.1.The Isothermal Batch Reactor -- Example 8.1.A Example of Derivation of a Kinetic Equation from Batch Data -- Example 8.1.B Styrene Polymerization in a Batch Reactor -- Example 8.1.C Production of Gluconic Acid by Aerobic Fermentation of Glucose -- 8.2.The Nonisothermal Batch Reactor -- Example 8.2.A Decomposition of Acetylated Castor Oil Ester -- 8.3.Semibatch Reactor Modeling -- Example 8.3.A Simulation of Semibatch Reactor Operation (with L.H. Hostent) -- 8.4.Optimal Operation Policies and Control Strategies -- 8.4.1.Optimal Batch Operation Time -- Example 8.4.1.A Optimum Conversion and Maximum Profit for a First-Order Reaction -- 8.4.2.Optimal Temperature Policies -- Example 8.4.2.A Optimal Temperature Trajectories for First-Order Reversible Reactions -- Example 8.4.2.B Optimum Temperature Policies for Consecutive and Parallel Reactions -- 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 --
- Contents note continued: 9.3.2.Design and Simulation of Non-Isothermal Cracking Tubes for Olefins Production -- 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 -- Example 10.4.2.A Temperature Oscillations in a Mixed Reactor for the Vapor-Phase Chlorination of Methyl Chloride -- 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 -- 11.5.1.Model Equations -- Example 11.5.1.A Calculation of Pressure Drop in Packed Beds -- 11.5.2.Design of a Fixed Bed Reactor According to the One-Dimensional 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" -- 11.5.6.Nonsteady-State Behavior of Fixed Bed Catalytic Reactors Due to Catalyst Deactivation -- 11.6.One-Dimensional Model with Axial Mixing -- 11.7.Two-Dimensional Pseudohomogeneous Models -- 11.7.1.The Effective Transport Concept -- 11.7.2.Continuity and Energy Equations -- 11.7.3.Design or Simulation of a Fixed Bed Reactor for Catalytic Hydrocarbon Oxidation -- 11.7.4.An Equivalent One-Dimensional Model -- 11.7.5.A Two-Dimensional Model Accounting for Radial Variations in the Bed Structure -- 11.7.6.Two-Dimensional Cell Models -- Part Three Heterogeneous Models -- 11.8.One-Dimensional Model Accounting for Interfacial Gradients -- 11.8.1.Model Equations -- 11.8.2.Simulation of the Transient Behavior of a Reactor -- Example 11.8.2.A A Gas-Solid Reaction in a Fixed Bed Reactor -- 11.9.One-Dimensional Model Accounting for Interfacial and Intraparticle Gradients -- 11.9.1.Model Equations -- Example 11.9.1.A Simulation of a Primary Steam Reformer -- Example 11.9.1.B Simulation of an Industrial Reactor for 1-Butene Dehydrogenation into Butadiene -- Example 11.9.1.C Influence of Internal Diffusion Limitations in Catalytic Reforming -- 11.10.Two-Dimensional Heterogeneous Models -- 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 -- Annex 12.5.1.A Reynolds-Stress Transport Equations* -- 12.5.2.Turbulent Transport of Species and Heat. Modeling of the Scalar Flux -- Annex 12.5.2.A Scalar Flux Transport Equations* -- 12.5.3.Macro-Scale Averaged Reaction Rates -- Annex 12.5.3.A Moment Methods: Transport Equations for the Species Concentration Correlations * -- 12.5.3.1.Models Based upon the Concept of Eddy Dissipation -- 12.5.3.2.The Eddy Break-Up Model -- 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 -- Example 12.6.1.A Population Balance Model for Micro-Mixing in a Perfectly Macro-Mixed Reactor: PDF Moment Method -- 12.6.2.Age Distribution Functions -- Example 12.6.2.A RTD of a Perfectly Mixed Vessel -- Example 12.6.2.B Experimental Determination of the RTD -- 12.6.3.Flow Patterns Derived from the RTD -- Example 12.6.3.A RTD for Series of N Completely Stirred Tanks -- 12.6.4.Application of RTD to Reactors -- Example 12.6.4.A First Order Reaction(s) in Isothermal Completely Mixed Reactors, Plug Flow Reactors, and Series of Completely Stirred Tanks -- Example 12.6.4.B Second Order Bimolecular 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 Micro-Mixed -- 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 -- 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 kI -- 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 -- 13.8.2.1.Fluidized Bed Reactor. Two-Phase Model with Ten Lump Reaction Scheme -- 13.8.2.2.Fluidized Bed Reactor. Reynolds-Averaged Navier-Stokes Model with Ten Lump Reaction Scheme -- 13.8.2.3.Riser Reactor. Plug Flow Model with Slip with Reaction Scheme based upon Elementary Steps. Single Event Kinetics -- 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 -- 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 -- Example 14.3.1.A The Simulation or Design of a Packed Bed Absorption Tower -- Example 14.3.1.B The Absorption of CO, into a Monoethanolamine (MEA) Solution -- 14.3.2.Two-Phase Fixed Bed Catalytic Reactors with Cocurrent Downflow. "Trickle" Bed Reactors and Packed Downflow Bubble Reactors -- Example 14.3.2.A Trickle Bed Hydrocracking of Vacuum Gas Oil -- 14.3.3.Two-Phase Fixed Bed Catalytic Reactors with Cocurrent Upflow. Upflow Packed Bubble Reactors -- 14.3.4.Plate Columns -- Example 14.3.4.A The Simulation or Design of a Plate Column for Absorption and Reaction -- Example 14.3.4.B The Absorption of CO2 in an Aqueous Solution of Mono- and Diethanolamine (MEA and DEA) -- 14.3.5.Spray Towers -- 14.3.6.Bubble Reactors -- Example 14.3.6.A Simulation of a Bubble Column Reactor Considering Detailed Flow Patterns and a First-Order Irreversible Reaction. Comparison with Conventional Design Models -- 14.3.7.Stirred Vessel Reactors