book

Essentials of Chemical Reaction Engineering, 2nd Edition

by H. Scott Fogler

October 2017

Intermediate to advanced

816 pages

25h 46m

English

Pearson

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1.1 The Rate of Reaction, -rA1.2 The General Mole Balance Equation1.3 Batch Reactors (BRs)1.4 Continuous-Flow Reactors1.4.1 Continuous-Stirred Tank Reactor (CSTR)1.4.2 Tubular Reactor1.4.3 Packed-Bed Reactor (PBR)1.5 Industrial Reactors

2.1 Definition of Conversion2.2 Batch Reactor Design Equations2.3 Design Equations for Flow Reactors2.3.1 CSTR (Also Known as a Backmix Reactor or a Vat)2.3.2 Tubular Flow Reactor (PFR)2.3.3 Packed-Bed Reactor (PBR)2.4 Sizing Continuous-Flow Reactors2.5 Reactors in Series2.5.1 CSTRs in Series2.5.2 PFRs in Series2.5.3 Combinations of CSTRs and PFRs in Series2.5.4 Comparing the CSTR and PFR Reactor Volumes and Reactor Sequencing2.6 Some Further Definitions2.6.1 Space Time2.6.2 Space Velocity
3.1 Basic Definitions3.1.1 Relative Rates of Reaction3.2 The Rate Law3.2.1 Power Law Models and Elementary Rate Laws3.2.2 Nonelementary Rate Laws3.2.3 Reversible Reactions3.3 The Reaction Rate Constant3.3.1 The Rate Constant k and Its Temperature Dependence3.3.2 Interpretation of the Activation Energy3.3.3 The Arrhenius Plot3.4 Molecular Simulations3.4.1 Historical Perspective3.4.2 Stochastic Modeling of Reactions3.5 Present Status of Our Approach to Reactor Sizing and Design
4.1 Batch Systems4.1.1 Batch Concentrations for the Generic Reaction, Equation (2-2)4.2 Flow Systems4.2.1 Equations for Concentrations in Flow Systems4.2.2 Liquid-Phase Concentrations4.2.3 Gas-Phase Concentrations4.3 Reversible Reactions and Equilibrium Conversion
5.1 Design Structure for Isothermal Reactors5.2 Batch Reactors (BRs)5.2.1 Batch Reaction Times5.3 Continuous-Stirred Tank Reactors (CSTRs)5.3.1 A Single CSTR5.3.2 CSTRs in Series5.4 Tubular Reactors5.4.1 Liquid-Phase Reactions in a PFR υ = υ05.4.2 Gas-Phase Reactions in a PFR υ = υ0(1 + εΧ) (T/T0)(P0/P)5.4.3 Effect of ε on Conversion5.5 Pressure Drop in Reactors5.5.1 Pressure Drop and the Rate Law5.5.2 Flow Through a Packed Bed5.5.3 Pressure Drop in Pipes
5.5.5 Robert the Worrier Wonders: What If...5.6 Synthesizing the Design of a Chemical Plant
6.1 The Molar Flow Rate Balance Algorithm6.2 Mole Balances on CSTRs, PFRs, PBRs, and Batch Reactors6.2.1 Liquid Phase6.2.2 Gas Phase6.3 Application of the PFR Molar Flow Rate Algorithm to a Microreactor6.4 Membrane Reactors6.5 Unsteady-State Operation of Stirred Reactors6.6 Semibatch Reactors6.6.1 Motivation for Using a Semibatch Reactor6.6.2 Semibatch Reactor Mole Balances6.6.3 Equilibrium Conversion
7.1 The Algorithm for Data Analysis7.2 Determining the Reaction Order for Each of Two Reactants Using the Method of Excess7.3 Integral Method7.4 Differential Method of Analysis7.4.1 Graphical Differentiation Method7.4.2 Numerical Method7.4.3 Finding the Rate-Law Parameters7.5 Nonlinear Regression7.5.1 Concentration–Time Data7.5.2 Model Discrimination7.6 Reaction-Rate Data from Differential Reactors7.7 Experimental Planning
8.1 Definitions8.1.1 Types of Reactions8.1.2 Selectivity8.1.3 Yield8.1.4 Conversion8.2 Algorithm for Multiple Reactions8.2.1 Modifications to the Chapter 6 CRE Algorithm for Multiple Reactions8.3 Parallel Reactions8.3.1 Selectivity8.3.2 Maximizing the Desired Product for One Reactant8.3.3 Reactor Selection and Operating Conditions8.4 Reactions in Series8.5 Complex Reactions8.5.1 Complex Gas-Phase Reactions in a PBR8.5.2 Complex Liquid-Phase Reactions in a CSTR
8.6 Membrane Reactors to Improve Selectivity in Multiple Reactions8.7 Sorting It All Out8.8 The Fun Part
9.1 Active Intermediates and Nonelementary Rate Laws9.1.1 Pseudo-Steady-State Hypothesis (PSSH)9.1.2 If Two Molecules Must Collide, How Can the Rate Law Be First Order?9.1.3 Searching for a Mechanism9.1.4 Chain Reactions9.2 Enzymatic Reaction Fundamentals9.2.1 Enzyme–Substrate Complex9.2.2 Mechanisms9.2.3 Michaelis–Menten Equation9.2.4 Batch-Reactor Calculations for Enzyme Reactions9.3 Inhibition of Enzyme Reactions9.3.1 Competitive Inhibition9.3.2 Uncompetitive Inhibition9.3.3 Noncompetitive Inhibition (Mixed Inhibition)9.3.4 Substrate Inhibition
9.4.1 Cell Growth9.4.2 Rate Laws9.4.3 Stoichiometry9.4.4 Mass Balances9.4.5 Chemostats9.4.6 CSTR Bioreactor Operation9.4.7 Wash-Out
10.1 Catalysts10.1.1 Definitions10.1.2 Catalyst Properties10.1.3 Catalytic Gas–Solid Interactions10.1.4 Classification of Catalysts10.2 Steps in a Catalytic Reaction10.2.1 Mass Transfer Step 1: Diffusion from the Bulk to the External Surface of the Catalyst—An Overview10.2.2 Mass Transfer Step 2: Internal Diffusion—An Overview10.2.3 Adsorption Isotherms10.2.4 Surface Reaction10.2.5 Desorption10.2.6 The Rate-Limiting Step10.3 Synthesizing a Rate Law, Mechanism, and Rate-Limiting Step10.3.1 Is the Adsorption of Cumene Rate-Limiting?10.3.2 Is the Surface Reaction Rate-Limiting?10.3.3 Is the Desorption of Benzene Rate-Limiting?10.3.4 Summary of the Cumene Decomposition10.3.5 Reforming Catalysts10.3.6 Rate Laws Derived from the Pseudo-Steady-State Hypothesis (PSSH)
10.4 Heterogeneous Data Analysis for Reactor Design10.4.1 Deducing a Rate Law from the Experimental Data10.4.2 Finding a Mechanism Consistent with Experimental Observations10.4.3 Evaluation of the Rate-Law Parameters10.4.4 Reactor Design10.5 Reaction Engineering in Microelectronic Fabrication10.5.1 Overview10.5.2 Chemical Vapor Deposition10.6 Model Discrimination10.7 Catalyst Deactivation10.7.1 Types of Catalyst Deactivation10.8 Reactors That Can Be Used to Help Offset Catalyst Decay10.8.1 Temperature–Time Trajectories
10.8.3 Straight-Through Transport Reactors (STTR)
11.1 Rationale11.2 The Energy Balance11.2.1 First Law of Thermodynamics11.2.2 Evaluating the Work Term11.2.3 Overview of Energy Balances11.3 The User-Friendly Energy Balance Equations11.3.1 Dissecting the Steady-State Molar Flow Rates to Obtain the Heat of Reaction11.3.2 Dissecting the Enthalpies11.3.3 Relating ΔHRx(T), ΔH°Rx(TR) and ΔCP11.4 Adiabatic Operation11.4.1 Adiabatic Energy Balance11.4.2 Adiabatic Tubular Reactor11.5 Adiabatic Equilibrium Conversion11.5.1 Equilibrium Conversion
11.6.1 Exothermic Reactions11.6.2 Endothermic Reactions11.7 Optimum Feed Temperature
12.1 Steady-State Tubular Reactor with Heat Exchange12.1.1 Deriving the Energy Balance for a PFR12.1.2 Applying the Algorithm to Flow Reactors with Heat Exchange12.2 Balance on the Heat-Transfer Fluid12.2.1 Co-current Flow12.2.2 Countercurrent Flow12.3 Algorithm for PFR/PBR Design with Heat Effects12.3.1 Applying the Algorithm to an Exothermic Reaction12.3.2 Applying the Algorithm to an Endothermic Reaction12.4 CSTR with Heat Effects12.4.1 Heat Added to the Reactor, Q12.5 Multiple Steady States (MSS)12.5.1 Heat-Removed Term, R(T)
12.5.3 Ignition–Extinction Curve12.6 Nonisothermal Multiple Chemical Reactions12.6.1 Energy Balance for Multiple Reactions in Plug-Flow Reactors12.6.2 Parallel Reactions in a PFR12.6.3 Energy Balance for Multiple Reactions in a CSTR12.6.4 Series Reactions in a CSTR12.6.5 Complex Reactions in a PFR12.7 Radial and Axial Variations in a Tubular Reactor12.7.1 Molar Flux12.7.2 Energy Flux
12.8 Safety
13.1 The Unsteady-State Energy Balance13.2 Energy Balance on Batch Reactors (BRs)13.2.1 Adiabatic Operation of a Batch Reactor13.2.2 Case History of a Batch Reactor with Interrupted Isothermal Operation Causing a Runaway Reaction13.3 Batch and Semibatch Reactors with a Heat Exchanger13.3.1 Startup of a CSTR
13.4 Nonisothermal Multiple Reactions
A.1 Useful Integrals in Reactor DesignA.2 Equal-Area Graphical DifferentiationA.3 Solutions to Differential EquationsA.3.A First-Order Ordinary Differential EquationsA.3.B Coupled Differential EquationsA.3.C Second-Order Ordinary Differential EquationsA.4 Numerical Evaluation of IntegralsA.5 Semilog GraphsA.6 Software Packages
D.1 PolymathD.1.A About Polymath (http://www.umich.edu/~elements/5e/software/polymath.html)D.1.B Polymath Tutorials (http://www.umich.edu/~elements/5e/software/polymath-tutorial.html)D.1.C Living Example ProblemsD.2 WolframD.3 MATLABD.4 ExcelD.5 COMSOL (http://www.umich.edu/~elements/5e/12chap/comsol.html)D.6 AspenD.7 Visual Encyclopedia of Equipment—Reactors SectionD.8 Reactor Lab
G.1 Design of Reaction Engineering ExperimentG.2 Effective Lubricant DesignG.3 Peach Bottom Nuclear ReactorG.4 Underground Wet OxidationG.5 Hydrodesulfurization Reactor DesignG.6 Continuous BioprocessingG.7 Methanol SynthesisG.8 Cajun Seafood GumboG.9 Alcohol MetabolismG.10 Methanol PoisoningG.11 Safety
H.1 Computational Chemical Engineering
I.1 CRE Web Resources ComponentsI.2 How the Web Can Help Your Learning StyleI.2.1 Global vs. Sequential LearnersI.2.2 Active vs. Reflective LearnersI.2.3 Sensing vs. Intuitive LearnersI.2.4 Visual vs. Verbal LearnersI.3 Navigation

Content preview from Essentials of Chemical Reaction Engineering, 2nd Edition

D. Software Packages

While Polymath 6.1 is the primary software package for the majority of the problems requiring numerical solutions, Wolfram, Excel, and MATLAB are also available. In addition, one can use COMSOL and Aspen to solve a few selected problems in Chapters 12 and 13 and PDF Chapter 18.

D.1 Polymath

D.1.A About Polymath (http://www.umich.edu/~elements/5e/software/polymath.html)

Polymath is an extremely user-friendly software package that is best suited for solving chemical reaction engineering problems. In this text and Web site we mostly use the DEQ for solving coupled differential equations, e.g., conversion and temperature, but also use REG for fitting data to a curve, as well as nonlinear regression to determine the best values ...