Elements of chemical reaction engineering

1. Mole Balances. The Rate of Reaction The General Mole Balance Equation Batch Reactors Continuous-Flow Reactors Industrial Reactors Summary CD-ROM Material Questions and Problems Supplementary Reading 2. Conversion and Reactor Sizing. Definition of Conversion Batch Reactor Design Equations Design Equations for Flow Reactors Applications of the Design Equations for Continuous-Flow Reactors Reactors in Series Some Further Definitions Summary CD-ROM Materials Questions and Problems Supplementary Reading 3. Rate Laws and Stoichiometry. Part 1. Rate Laws Basic Definitions The Reaction Order and the Rate Law The Reaction Rate Constant Present Status of Our Approach to Reactor Sizing and Design Part 2. Stoichiometry Batch Systems Flow Systems Summary CD-ROM Material Questions and Problems Supplementary Reading 4. Isothermal Reactor Design. Part 1. Mole Balances in Terms of Conversion Design Structure for Isothermal Reactors Scale-Up of Liquid-Phase Batch Reactor Data to the Design of a CSTR Design of Continuous Stirred Tank Reactors (CSTRs) Tubular Reactors Pressure Drop in Reactors Synthesizing the Design of a Chemical Plant Part 2. Mole Balances Written in Terms of Concentration and Molar Flow Rate Mole Balances on CSTRs, PFRs, PBRs, and Batch Reactors Microreactors Membrane Reactors Unsteady-State Operation of Stirred Reactors The Practical Side Summary ODE Solver Algorithm CD-ROM Material Questions and Problems Some Thoughts on Critiquing What You read Journal Critique Problems Supplementary Reading 5. Collection and Analysis of Rate Data. The Algorithm for Data Analysis Batch Reactor Data Method of Initial Rates Method of Half-Lives Differential Reactors Experimental Planning Evaluation of Laboratory Reactors Summary CD-ROM Material Questions and Problems Journal Critique Problems Supplementary Reading 6. Multiple Reactions. Definitions Parallel Reactions Maximizing the Desired Product in Series Reactions Algorithm for Solution of Complex Reactions Multiple Reactions in a PFR/PBR Multiple Reactions in a CSTR Membrane Reactors to Improve Selectivity in Multiple Reactions Complex Reactions of Ammonia Oxidation Sorting It All Out The Fun Part Summary CD-ROM Material Questions and Problems Journal Critique Problems Supplementary Reading 7. Reaction Mechanisms, Pathways, Bioreactions, and Bioreactors. Active Intermediates and Nonelementary Rate Laws Enzymatic Reaction Fundamentals Inhibition of Enzyme Reactions Bioreactors Physiologically Based Pharmacokinetic (PBPK) Models Summary CD-ROM Material Questions and Problems Journal Critique Problems Supplementary Reading 8. Steady-State Nonisothermal Reactor Design. Rationale The Energy Balance Adiabatic Operation Steady-State Tubular Reactor with Heat Exchange Equilibrium Conversion CSTR with Heat Effects Multiple Steady States Nonisothermal Multiple Chemical Reactions Radial and Axial Variations in a Tubular Reactor The Practical Side Summary CD-ROM Material Questions and Problems Journal Critique Problems Supplementary Reading 9. Unsteady-State Nonisothermal Reactor Design. The Unsteady-State Energy Balance Energy Balance on Batch Reactors Semibatch Reactors with a Heat Exchanger Unsteady Operation of a CSTR Nonisothermal Multiple Reactions Unsteady Operation of Plug-Flow Reactors Summary CD-ROM Material Questions and Problems Supplementary Reading 10. Catalysis and Catalytic Reactors. Catalysts Steps in a Catalytic Reaction Synthesizing a Rate Law, Mechanism, and Rate-Limiting Step Heterogeneous Data Analysis for Reactor Design Reaction Engineering in Microelectronic Fabrication Model Discrimination Catalyst Deactivation Summary ODE Solver Algorithm CD-ROM Material Questions and Problems Journal Critique Problems Supplementary Reading 11. External Diffusion Effects on Heterogeneous Reactions. Diffusion Fundamentals Binary Diffusion External Resistance to Mass Transfer What If ... ? (Parameter Sensitivity) The Shrinking Core Model Summary CD-ROM Material Questions and Problems Supplementary Reading 12. Diffusion and Reaction. Diffusion and Reaction in Spherical Catalyst Pellets Internal Effectiveness Factor Falsified Kinetics Overall Effectiveness Factor Estimation of Diffusion- and Reaction-Limited Regimes Mass Transfer and Reaction in a Packed Bed Determination of Limiting Situations from Reaction Data Multiphase Reactors Fluidized Bed Reactors Chemical Vapor Deposition (CVD) Summary CD-ROM Material Questions and Problems Journal Article Problems Journal Critique Problems Supplementary Reading 13. Distributions of Residence Times for Chemical Reactors. General Characteristics Part 1. Characteristics and Diagnostics Measurement of the RTD Characteristics of the RTD RTD in Ideal Reactors Diagnostics and Troubleshooting Part 2. Predicting Conversion and Exit Concentration Reactor Modeling Using the RTD Zero-Parameter Models Using Software Packages RTD and Multiple Reactions Summary CD-ROM Material Questions and Problems Supplementary Reading 14. Models for Nonideal Reactors. Some Guidelines Tanks-in-Series (T-I-S) Model Dispersion Model Flow, Reaction, and Dispersion Tanks-in-Series Model Versus Dispersion Model Numerical Solutions to Flows with Dispersion and Reaction Two-Parameter Models-Modeling Real Reactors with Combinations of Ideal Reactors Use of Software Packages to Determine the Model Parameters Other Models of Nonideal Reactors Using CSTRs and PFRs Applications to Pharmacokinetic Modeling Summary CD-ROM Material Questions and Problems Supplementary Reading Appendix A: Numerical Techniques. Appendix B: Ideal Gas Constant and Conversion Factors. Appendix C: Thermodynamic Relationships Involving the Equilibrium Constant. Appendix D: Measurement of Slopes on Semilog Paper. Appendix E: Software Packages. Appendix F: Nomenclature. Appendix G: Rate Law Data. Appendix H: Open-Ended Problems. Appendix I: How to Use the CD-ROM. Appendix J: Use of Computational Chemistry Software Packages. Index. About the CD-ROM.