| Preface |
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xix | |
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1 | (36) |
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The Rate of Reaction, --rA |
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4 | (4) |
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The General Mole Balance Equation |
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8 | (2) |
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10 | (2) |
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12 | (9) |
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Continuous-Stirred Tank Reactor |
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12 | (2) |
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14 | (3) |
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17 | (4) |
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21 | (16) |
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25 | (1) |
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26 | (3) |
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29 | (6) |
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35 | (2) |
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Conversion and Reactor Sizing |
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37 | (42) |
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38 | (1) |
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Batch Reactor Design Equations |
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38 | (2) |
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Design Equations for Flow Reactors |
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40 | (5) |
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CSTR (also known as a Backmix Reactor or Vat) |
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43 | (1) |
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Tubular Flow Reactor (PFR) |
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44 | (1) |
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45 | (1) |
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Applications of the Design Equations for Continuous-Flow Reactors |
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45 | (9) |
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54 | (12) |
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55 | (3) |
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58 | (2) |
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Combinations of CSTRs and PFRs in Series |
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60 | (4) |
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Comparing the CSTR and PFR Reactor Volumes and Reactor Sequencing |
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64 | (2) |
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66 | (13) |
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66 | (2) |
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68 | (1) |
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69 | (2) |
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71 | (1) |
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72 | (5) |
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77 | (2) |
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Rate Laws and Stoichiometry |
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79 | (64) |
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80 | (1) |
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80 | (2) |
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Relative Rates of Reaction |
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81 | (1) |
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The Reaction Order and the Rate Law |
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82 | (9) |
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Power Law Models and Elementary Rate Laws |
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82 | (4) |
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86 | (2) |
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88 | (3) |
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The Reaction Rate Constant |
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91 | (7) |
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Present Status of Our Approach to Reactor Sizing and Design |
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98 | (1) |
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99 | (1) |
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100 | (6) |
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Equations for Batch Concentrations |
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102 | (1) |
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Constant-Volume Batch Reaction Systems |
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103 | (3) |
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106 | (37) |
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Equations for Concentrations in Flow Systems |
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107 | (1) |
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Liquid-Phase Concentrations |
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108 | (1) |
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Change in the Total Number of Moles with Reaction in the Gas Phase |
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108 | (16) |
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124 | (2) |
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126 | (5) |
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131 | (10) |
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141 | (2) |
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Isothermal Reactor Design |
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143 | (110) |
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Part 1 Mole Balances in Terms of Conversion |
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144 | (1) |
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Design Structure for Isothermal Reactors |
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144 | (4) |
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Scale-Up of Liquid-Phase Batch Reactor Data to the Design of a CSTR |
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148 | (8) |
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148 | (8) |
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Design of Continuous Stirred Tank Reactors (CSTRs) |
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156 | (12) |
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157 | (1) |
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158 | (2) |
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160 | (2) |
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A Second-Order Reaction in a CSTR |
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162 | (6) |
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168 | (7) |
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Pressure Drop in Reactors |
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175 | (21) |
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Pressure Drop and the Rate Law |
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175 | (2) |
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Flow Through a Packed Bed |
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177 | (5) |
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182 | (3) |
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Analytical Solution for Reaction with Pressure Drop |
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185 | (11) |
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Spherical Packed-Bed Reactors |
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196 | (1) |
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Synthesizing the Design of a Chemical Plant |
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196 | (2) |
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Part 2 Mole Balances Written in Terms of Concentration and Molar Flow Rate |
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198 | (2) |
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Mole Balances on CSTRs, PFRs, PBRs, and Batch Reactors |
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200 | (1) |
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200 | (1) |
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200 | (1) |
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201 | (6) |
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207 | (8) |
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Unsteady-State Operation of Stirred Reactors |
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215 | (11) |
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216 | (1) |
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217 | (2) |
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Writing the Semibatch Reactor Equations in Terms of Concentrations |
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219 | (4) |
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Writing the Semibatch Reactor Equations in Terms of Conversion |
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223 | (3) |
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226 | (27) |
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227 | (3) |
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230 | (1) |
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231 | (3) |
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234 | (15) |
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Some Thoughts on Critiquing What You read |
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249 | (1) |
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Journal Critique Problems |
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249 | (3) |
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252 | (1) |
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Collection and Analysis of Rate Data |
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253 | (52) |
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The Algorithm for Data Analysis |
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254 | (2) |
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256 | (21) |
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Differential Method of Analysis |
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257 | (10) |
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267 | (4) |
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271 | (6) |
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277 | (3) |
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280 | (1) |
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281 | (8) |
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289 | (1) |
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Evaluation of Laboratory Reactors |
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289 | (16) |
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289 | (1) |
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290 | (1) |
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Summary of Reactor Ratings |
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290 | (1) |
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291 | (2) |
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293 | (1) |
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294 | (8) |
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Journal Critique Problems |
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302 | (1) |
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303 | (2) |
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305 | (72) |
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305 | (5) |
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305 | (5) |
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310 | (10) |
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Maximizing the Desired Product for One Reactant |
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311 | (6) |
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Reactor Selection and Operating Conditions |
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317 | (3) |
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Maximizing the Desired Product in Series Reactions |
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320 | (7) |
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Algorithm for Solution of Complex Reactions |
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327 | (8) |
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327 | (2) |
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329 | (5) |
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Stoichiometry: Concentrations |
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334 | (1) |
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Multiple Reactions in a PFR/PBR |
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335 | (8) |
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Multiple Reactions in a CSTR |
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343 | (4) |
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Membrane Reactors to Improve Selectivity in Multiple Reactions |
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347 | (4) |
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Complex Reactions of Ammonia Oxidation |
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351 | (5) |
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356 | (1) |
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356 | (21) |
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357 | (2) |
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359 | (2) |
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361 | (11) |
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Journal Critique Problems |
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372 | (3) |
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375 | (2) |
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Reaction Mechanisms, Pathways, Bioreactions, and Bioreactors |
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377 | (94) |
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Active Intermediates and Nonelementary Rate Laws |
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377 | (17) |
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Pseudo-Steady-State Hypothesis (PSSH) |
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379 | (4) |
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Searching for a Mechanism |
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383 | (3) |
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386 | (5) |
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391 | (3) |
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Enzymatic Reaction Fundamentals |
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394 | (15) |
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Enzyme--Substrate Complex |
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395 | (2) |
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397 | (2) |
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Michaelis-Menten Equation |
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399 | (5) |
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Batch Reactor Calculations for Enzyme Reactions |
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404 | (5) |
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Inhibition of Enzyme Reactions |
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409 | (9) |
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410 | (2) |
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412 | (2) |
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Noncompetitive Inhibition (Mixed Inhibition) |
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414 | (2) |
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416 | (1) |
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Multiple Enzyme and Substrate Systems |
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417 | (1) |
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418 | (21) |
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422 | (1) |
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423 | (3) |
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426 | (5) |
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431 | (3) |
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434 | (1) |
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435 | (1) |
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436 | (2) |
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438 | (1) |
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439 | (1) |
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Physiologically Based Pharmacokinetic (PBPK) Models |
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439 | (32) |
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447 | (2) |
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449 | (5) |
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454 | (14) |
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Journal Critique Problems |
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468 | (1) |
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469 | (2) |
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Steady-State Nonisothermal Reactor Design |
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471 | (120) |
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472 | (1) |
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473 | (13) |
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First Law of Thermodynamics |
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473 | (1) |
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474 | (2) |
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Overview of Energy Balances |
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476 | (3) |
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Dissecting the Steady-State Molar Flow Rates to Obtain the Heat of Reaction |
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479 | (2) |
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Dissecting the Enthalpies |
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481 | (2) |
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Relating ΔHRX(T), ΔH®RX (TR), and ΔCP |
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483 | (3) |
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486 | (9) |
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486 | (1) |
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Adiabatic Tubular Reactor |
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487 | (8) |
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Steady-State Tubular Reactor with Heat Exchange |
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495 | (16) |
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Deriving the Energy Balance for a PFR |
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495 | (4) |
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Balance on the Coolant Heat Transfer Fluid |
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499 | (12) |
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511 | (11) |
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Adiabatic Temperature and Equilibrium Conversion |
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512 | (8) |
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520 | (2) |
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522 | (11) |
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Heat Added to the Reactor, Q |
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522 | (11) |
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533 | (10) |
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534 | (1) |
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534 | (2) |
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Ignition-Extinction Curve |
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536 | (4) |
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Runaway Reactions in a CSTR |
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540 | (3) |
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Nonisothermal Multiple Chemical Reactions |
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543 | (8) |
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Energy Balance for Multiple Reactions in Plug-Flow Reactors |
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544 | (4) |
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Energy Balance for Multiple Reactions in CSTR |
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548 | (3) |
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Radial and Axial Variations in a Tubular Reactor |
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551 | (10) |
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561 | (30) |
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563 | (3) |
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566 | (2) |
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568 | (21) |
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Journal Critique Problems |
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589 | (1) |
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589 | (2) |
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Unsteady-State Nonisothermal Reactor Design |
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591 | (54) |
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The Unsteady-State Energy Balance |
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591 | (3) |
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Energy Balance on Batch Reactors |
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594 | (20) |
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Adiabatic Operation of a Batch Reactor |
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594 | (5) |
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Batch Reactor with Interrupted Isothermal Operation |
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599 | (6) |
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Reactor Safety: The Use of the ARSST to Find ΔHRx, E and to Size Pressure Relief Valves |
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605 | (9) |
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Semibatch Reactors with a Heat Exchanger |
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614 | (5) |
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Unsteady Operation of a CSTR |
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619 | (6) |
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619 | (4) |
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Falling Off the Steady State |
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623 | (2) |
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Nonisothermal Multiple Reactions |
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625 | (3) |
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Unsteady Operation of Plug-Flow Reactors |
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628 | (17) |
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629 | (1) |
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630 | (3) |
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633 | (11) |
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644 | (1) |
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Catalysis and Catalytic Reactors |
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645 | (112) |
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645 | (10) |
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646 | (2) |
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648 | (4) |
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Classification of Catalysts |
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652 | (3) |
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Steps in a Catalytic Reaction |
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655 | (16) |
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Step 1 Overview: Diffusion from the Bulk to the External Transport |
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658 | (2) |
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Step 2 Overview: Internal Diffusion |
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660 | (1) |
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661 | (5) |
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666 | (2) |
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668 | (1) |
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669 | (2) |
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Synthesizing a Rate Law, Mechanism, and Rate-Limiting Step |
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671 | (17) |
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Is the Adsorption of Cumene Rate-Limiting? |
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674 | (3) |
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Is the Surface Reaction Rate-Limiting? |
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677 | (1) |
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Is the Desorption of Benzene Rate-Limiting? |
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678 | (2) |
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Summary of the Cumene Decomposition |
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680 | (1) |
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681 | (3) |
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Rate Laws Derived from the Pseudo-Steady-State Hypothesis |
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684 | (3) |
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Temperature Dependence of the Rate Law |
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687 | (1) |
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Heterogeneous Data Analysis for Reactor Design |
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688 | (10) |
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Deducing a Rate Law from the Experimental Data |
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689 | (2) |
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Finding a Mechanism Consistent with Experimental Observations |
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691 | (1) |
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Evaluation of the Rate Law Parameters |
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692 | (2) |
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694 | (4) |
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Reaction Engineering in Microelectronic Fabrication |
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698 | (6) |
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698 | (2) |
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700 | (1) |
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Chemical Vapor Deposition |
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701 | (3) |
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704 | (3) |
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707 | (50) |
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Types of Catalyst Deactivation |
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709 | (12) |
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Temperature-Time Trajectories |
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721 | (1) |
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722 | (6) |
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Straight-Through Transport Reactors (STTR) |
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728 | (5) |
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733 | (3) |
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736 | (1) |
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736 | (2) |
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738 | (15) |
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Journal Critique Problems |
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753 | (2) |
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755 | (2) |
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External Diffusion Effects on Heterogeneous Reactions |
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757 | (56) |
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758 | (3) |
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758 | (1) |
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759 | (1) |
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760 | (1) |
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761 | (10) |
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Evaluating the Molar Flux |
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761 | (4) |
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765 | (1) |
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Modeling Diffusion Without Reaction |
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766 | (4) |
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Temperature and Pressure Dependence of DAB |
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770 | (1) |
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Modeling Diffusion with Chemical Reaction |
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771 | (1) |
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External Resistance to Mass Transfer |
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771 | (17) |
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The Mass Transfer Coefficient |
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771 | (2) |
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Mass Transfer Coefficient |
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773 | (1) |
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Correlations for the Mass Transfer Coefficient |
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774 | (2) |
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Mass Transfer to a Single Particle |
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776 | (4) |
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Mass Transfer--Limited Reactions in Packed Beds |
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780 | (3) |
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783 | (5) |
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What If. . .? (Parameter Sensitivity) |
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788 | (4) |
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792 | (21) |
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793 | (5) |
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Pharmacokinetics--Dissolution of Monodispersed Solid Particles |
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798 | (2) |
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800 | (1) |
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801 | (1) |
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802 | (8) |
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810 | (3) |
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813 | (54) |
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Diffusion and Reaction in Spherical Catalyst Pellets |
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814 | (13) |
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814 | (2) |
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Derivation of the Differential Equation Describing Diffusion and Reaction |
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816 | (3) |
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Writing the Equation in Dimensionless Form |
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819 | (3) |
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Solution to the Differential Equation for a First-Order Reaction |
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822 | (5) |
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Internal Effectiveness Factor |
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827 | (6) |
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833 | (2) |
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Overall Effectiveness Factor |
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835 | (3) |
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Estimation of Diffusion- and Reaction-Limited Regimes |
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838 | (4) |
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Weisz--Prater Criterion for Internal Diffusion |
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839 | (2) |
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Mears' Criterion for External Diffusion |
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841 | (1) |
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Mass Transfer and Reaction in a Packed Bed |
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842 | (6) |
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Determination of Limiting Situations from Reaction Data |
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848 | (1) |
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849 | (2) |
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850 | (1) |
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850 | (1) |
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851 | (1) |
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Chemical Vapor Deposition (CVD) |
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851 | (16) |
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851 | (1) |
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852 | (3) |
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855 | (8) |
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863 | (1) |
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Journal Critique Problems |
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863 | (2) |
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865 | (2) |
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Distributions of Residence Times for Chemical Reactors |
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867 | (78) |
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868 | (1) |
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Part 1 Characteristics and Diagnostics |
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868 | (3) |
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Residence-Time Distribution (RTD) Function |
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870 | (1) |
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871 | (7) |
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871 | (5) |
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876 | (2) |
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Characteristics of the RTD |
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878 | (7) |
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878 | (1) |
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879 | (2) |
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881 | (3) |
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Normalized RTD Function, E(Θ) |
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884 | (1) |
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Internal-Age Distribution, I(α) |
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885 | (1) |
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885 | (6) |
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RTDs in Batch and Plug-Flow Reactors |
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885 | (2) |
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887 | (1) |
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Laminar Flow Reactor (LFR) |
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888 | (3) |
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Diagnostics and Troubleshooting |
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891 | (11) |
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891 | (1) |
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Simple Diagnostics and Troubleshooting Using the RTD for Ideal Reactors |
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892 | (5) |
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897 | (5) |
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Part 2 Predicting Conversion and Exit Concentration |
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902 | (1) |
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Reactor Modeling Using the RTD |
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902 | (2) |
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904 | (19) |
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904 | (11) |
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915 | (7) |
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Comparing Segregation and Maximum Mixedness Predictions |
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922 | (1) |
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923 | (4) |
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927 | (1) |
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RTD and Multiple Reactions |
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927 | (18) |
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927 | (1) |
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928 | (5) |
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933 | (1) |
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934 | (2) |
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936 | (8) |
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944 | (1) |
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Models for Nonideal Reactors |
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945 | (64) |
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946 | (2) |
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947 | (1) |
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948 | (1) |
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Tanks-in-Series (T-I-S) Model |
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948 | (7) |
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955 | (2) |
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Flow, Reaction, and Dispersion |
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957 | (17) |
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957 | (1) |
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958 | (4) |
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Finding Da and the Peclet Number |
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962 | (1) |
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Dispersion in a Tubular Reactor with Laminar Flow |
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962 | (2) |
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964 | (2) |
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Experimental Determination of Da |
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|
966 | (4) |
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|
|
970 | (4) |
|
Tanks-in-Series Model Versus Dispersion Model |
|
|
974 | (1) |
|
Numerical Solutions to Flows with Dispersion and Reaction |
|
|
975 | (4) |
|
Two-Parameter Models---Modeling Real Reactors with Combinations of Ideal Reactors |
|
|
979 | (9) |
|
Real CSTR Modeled Using Bypassing and Dead Space |
|
|
979 | (6) |
|
Real CSTR Modeled as Two CSTRs with Interchange |
|
|
985 | (3) |
|
Use of Software Packages to Determine the Model Parameters |
|
|
988 | (2) |
|
Other Models of Nonideal Reactors Using CSTRs and PFRs |
|
|
990 | (1) |
|
Applications to Pharmacokinetic Modeling |
|
|
991 | (18) |
|
|
|
993 | (1) |
|
|
|
994 | (2) |
|
|
|
996 | (9) |
|
|
|
1005 | (4) |
| Appendix A Numerical Techniques |
|
1009 | (8) |
| Appendix B Ideal Gas Constant and Conversion Factors |
|
1017 | (4) |
| Appendix C Thermodynamic Relationships Involving the Equilibrium Constant |
|
1021 | (6) |
| Appendix D Measurement of Slopes on Semilog Paper |
|
1027 | (2) |
| Appendix E Software Packages |
|
1029 | (4) |
| Appendix F Nomenclature |
|
1033 | (4) |
| Appendix G Rate Law Data |
|
1037 | (2) |
| Appendix H Open-Ended Problems |
|
1039 | (4) |
| Appendix I How to Use the CD-Rom |
|
1043 | (6) |
| Appendix J Use of Computational Chemistry Software Packages |
|
1049 | (2) |
| Index |
|
1051 | (37) |
| About the CD-Rom |
|
1088 | |