Index

A

α-amylase, 378

Acetic anhydride, 897

Acetylation reactions, 249

Activation energy, 809–811

barrier heights, 90

barrier to energy transfer, 90

description, 90

fraction of molecular collisions. See Fraction of molecular collisions

potential energy surfaces and energy barriers, 90–93

rate of reaction, 90

Active intermediates

chain reactions, 377

collision theory, 369

computational software packages, 369

cyclobutane, 369

decomposition of acetaldehyde, 368

first-order reactions, 372–373

mechanism, 373–374

pseudo-steady-state hypothesis, 369–372

rate laws, 368

reactant concentrations, 369

Stern–Volmer equation, 374–377

translational kinetic energy, 368–369

Activity, 210, 212

Actual rate of reaction, 803

Adenosine diphosphate (ADP), 401

Adenosine triphosphate (ATP), 401

ADH. See Alcohol dehydrogenase

Adiabatic CSTR, propylene glycol, 623–628

Adiabatic energy balance, 557–558

Adiabatic equilibrium conversion, 566, 576–577

equilibrium conversion, 566–571

Adiabatic equilibrium temperature, 576–577

Adiabatic exothermic reactions, 58

Adiabatic gas-phase PFR/PBR reactor, 560

Adiabatic liquid-phase isomerization, 59–61

of normal butane, 560–566

Adiabatic operation, 557, 609, 610, 614, 651, 652, 687, 690, 692, 697–698, 726

adiabatic energy balance, 557–558

adiabatic tubular reactor, 558–566

of batch reactors, 686

Adiabatic PFR/PBR algorithm, 559

Adiabatic tubular reactor, 558–566

Administration control, 144

ADP. See Adenosine diphosphate

Adsorption, 445

Adsorption constants, 136

Adsorption equilibrium constant, 454, 456

Adsorption-limited reaction, 462

Adsorption of cumene, 463, 464, 466–469

Advanced Reactor System Screening Tool (ARSST), 700, 717, 723, 724

Affinity constant, 383

Aging (Sintering), 498

Alarm system, 724

Alcohol dehydrogenase (ADH), 394

Alcohol metabolism, 1023

Algorithm for chemical reaction engineering, 157–160

Alkylation catalyst, 446–447

Alumina-supported iridium catalyst, 768

American Institute of Chemical Engineers (AIChE), 1021

Ammonia, 310

Ammonolysis, 248

Antifreeze, 173

Apparent reaction, 83

Apparent reaction order, 810, 811

Aqueous caustic soda, 123

Aris–Taylor dispersion coefficient, 933, 942, 943

Arrhenius equation, 89, 107

Arrhenius plot

activation energy, 96

description, 96

determination, 97–99

Polanyi-Semenov equation, 99

at temperature, 99

Arrhenius temperature, 391

ARSST. See Advanced Reactor System Screening Tool

Artificial kidney, 380

Aspen, 1013

AspenTech, 566

Aspergillus niger, 400

Aspirin, 392

ATP. See Adenosine triphosphate

Autocatalytic reactions, 51, 70, 402

Auto exhaust data, 306

Avogadro’s number, 452, 453

AZO. See Azomethane

Azomethane (AZO)

decomposition mechanism, 373, 425

gas-phase decomposition, 370

internal rotational and vibrational energies, 371

rate equation, 374

rate law, 370, 373

reaction orders, 372

B

Backmix reactor or vat. See Continuous stirred-tank reactor

Backup cooling system, 144

Bacteria growth

batch reactor, 415–417

phases of, 426

Barrier walls, 724

Batch and plug-flow reactors, RTD in, 860–861

Batch and semibatch reactors, with heat exchanger, 700–702

semibatch operation, 707–710

startup of CSTR, 702–706

Batch operation, with heat exchange, 698–699

Batch polymerization process, 163

Batch reaction times, 161–167

algorithm for, 162

first-order reaction, 162

order of magnitude of, 162, 163

second-order reaction, 162

Batch reactor (BR), 10–12, 64, 119, 160, 248, 687, 726, 891, 896, 899. See also Mole balance

adiabatic operation of, 686–693

bacteria growth, 415–417

batch reaction times. See Batch reaction times

catalyst decay, 500–502

cell growth, 403–404

concentration–time data, 280

design equations, 36–38

energy balance on, 684–685

enzymatic reactions, 389–391

with heat exchanger, 691–693, 700–702

with interrupted isothermal operation, 693–700

mole balance, 276

rate-law parameters, 272

series reactions in, 325–329

Batch systems, 139–140

batch reactors, 119

constant-volume batch reactors, 122

continuous-flow liquid-phase systems, 121

equal molar and stoichiometric feed, 122

kinetic rate law, 121

limiting reactant, 124–125

liquid-phase reactions, 122–123, 123–124

N_A0X moles, 119

parameter, 122

reactor volume, 121

stoichiometric table, 120, 121

Bed fluidicity, 770

Behavioral control, 144

Benzene (B), 5

catalytic surface, 464

dependence of, 481

desorption, 465, 467, 469, 471–473

and ethylene, equimolar mixture of, 446–447

and methane, 480

production of, 443

and propylene, 460, 463, 465

Benzene diazonium chloride, 97

Berzelius’s work, 442

Bimodal distribution, 916

Bimolecular, 76

Bioconversions, 400

Bioreactors

bacteria growth in batch reactor, 415–417

bioconversions, 400

cell growth and division, 402–404

cells, 400–401

chemical and biochemical engineering, 399

chemostats, 418

CSTR bioreactor operation, 418–419

definition, 399

enzymatic reactions, 399

marketable chemical products, 400

mass balances, 413–415

monoclonal antibodies market, 400

Monod equation, 400

rate laws, 404–407

Sapphire Energy, 400

stoichiometry, 407–410

washout, 419–421

yield coefficients, 411–413

Blood clotting, 333–334

Bodenstein number (Bo), 952

Boltzmann distribution, 96

BowTie diagram, 256–257, 521, 522, 653

BR. See Batch reactor

Bromine cyanide, 252, 254

Bulk catalyst density, 243

Bulk concentration, 814, 815

Bulk density, of catalyst, 189

Bulk flow, 741, 742, 743, 764

Bulk velocity, 748

C

Cajun seafood gumbo, 1022–1023

California Institute of Technology, 1015

California Professional Engineers’ Exam Problem, 619, 621

Carbonaceous (coke) material, 502–503

Carbonium ion, 369

Carbon monoxide, 716

Carbonylation, 716

Catalyst deactivation, 524

batch reactors, 500–502

by coking or fouling, 502–503

gas catalytic system, 498

packed-bed reactor. See Packed-bed reactor

by poisoning, 503–504

poison in the feed, 504–505

reaction-rate law parameters, 497

separable and nonseparable kinetics, 497

by sintering (aging), 498–500

Catalyst decay

moving-bed reactors, 510–515

straight-through transport reactors, 515–519

temperature–time trajectories, 508–510

Catalyst pellet, shell balance on, 796

Catalysts

Berzelius’s work, 442

classification, 446–447

deactivation. See Catalyst deactivation

definitions, 442–443

gas–solid interactions, 445–446

properties, 443–444

uses of, 441–442

Catalyst weight, 241, 243

Catalytic bed, 243, 244

Catalytic membrane reactor (CMR), 239, 240

Catalytic packed-bed reactor, 447

Catalytic rate laws, 147

Catalytic reaction

adsorption isotherms, 452–458

desorption, 460–461

different types and sizes, 447

external surface, 450–451

heterogeneous catalytic reaction, 448

internal diffusion, 451–452

mechanisms and rate-limiting steps, 449

packed-bed reactor, 447

porous catalysts, 447

rate law, 449

rate-limiting step, 461–463

rate of reaction, 447

steps in, 448, 449

surface reaction, 458–460

Catalytic reactor design, 486–489

CCPS. See Center for Chemical Process Safety

C-curve in RTD, 847, 849–850

Center for Chemical Process Safety (CCPS), 654

Ceramic reactors, 240

ChemE Car, 1021

Chemical Engineering Curriculum Web site, 652–653

Chemical kinetics, 1

Chemical plants

profit, 209

safety with exothermic runaway reactions, 693–700

synthesizing the design of, 208–210

Chemical process safety, 25

Chemical reaction, 5

modeling diffusion with, 748–750

Chemical reaction engineering (CRE), 1, 2, 1021

Chemical reaction-rate-law, 7

Chemical reactors, 844

design, integrals in, 991–992

Chemical Safety Board (CSB), 210, 716, 717

Chemical species, 4

Chemical vapor deposition (CVD), 490–493, 522, 523–524, 826, 831

Chemisorption, 445–446

Chemostats, 418, 426

Chloral, 6

Chlorination, 248

Chlorobenzene, 6, 97

Chymotrypsin, 379

Circulating fluidized bed (CFB), 515

Clinoptilolite, 480

Closed-closed vessel boundary condition, 936–937, 939

Coagulation of blood, 333–334

Cobalt molybdenum catalyst, 494

Co-current exchange, 606, 616, 648–649

Co-current flow, 609, 612

heat-transfer fluid, 595–597

Coking or fouling, deactivation, 502–503

Colburn J factor, 767

Collision theory, 80, 83, 84, 108, 369

Col or saddle point, 91

Colquhoun-Lee, I., 768

Combination, 5

Combustion triangle. See Fire triangle

Competing reactions. See Parallel reactions

Competitive inhibition, 392–394

Completely micromixed fluid, 890

Completely segregated fluid, 890

Complex gas-phase reactions, in PBR, 335–339

Complex liquid-phase reactions

in CSTR, 339–341

in semibatch reactor, 341–343

Complex reactions, 310, 311, 335

complex gas-phase reactions in PBR, 335–339

complex liquid-phase reactions in CSTR, 339–341

complex liquid-phase reactions in semibatch reactor, 341–343

RTD and, 913–917

Computational chemistry software packages, 1025

Computational software packages, 369

COMSOL program, 961, 963, 1012

Conflicting goals, 930

Consecutive reactions. See Series reactions

Constant-density, 127

Constant heat capacities, 553

Constant-volume batch reactor, 273, 287

Constant-volume batch systems, 123, 141

Contingency plan/mitigating actions, 211, 212

Continuous bioprocessing, 1022

Continuous-flow liquid-phase systems, 121

Continuous-flow reactors, 12, 140, 543

continuous-stirred tank reactor, 12–14

“fluidized” catalytic bed reactor, 20

packed-bed reactor, 18–19

tubular reactor, 14–18

Continuous-flow system, 39, 891

Continuous stirred-tank reactor (CSTR), 1, 12–14, 168, 845, 870–871

adiabatic, 623–628

bioreactor operation, 418–419

bypassing (BP) model, 871–872

complex liquid-phase reactions in, 339–341

complex reactions, 649–652

conversion, 68

cooling coil, 628–630

Damköhler number, 171

dead space and bypass model, 966–968

dead volume (DV) model, 872–873

first-order reaction in, 168–169

flow reactors, 40

heat effects, 619–623

cooling coil, 628–630

propylene glycol in adiabatic CSTR, 623–628

reactor, Q, 620–623

steady-state energy balance, 619

heat exchange in, 550–551

with heat exchanger, 547

ideal, 893–894, 895

isothermal reactors, 865–867

little batch reactors (globules), 890

mole balance, 564–565, 633

multiple reactions, 642–645

nonideal, 888

nonideal reactors, 885–887

in parallel, 175–176

“perfectly mixed,” 890

perfect operation (P) model, 871

plug-flow reactor. See Plug-flow reactor

RTD functions, 919

second-order reaction in, 169–170

segregation model, 810

semibatch or unsteady, 548

semibatch reactors, 248

series, 52–56

in series, 171–178

series reactions in, 329–332

sizing, 46–47

specify the sizing of, 623

startup of, 702–706

stirred reactors, 248

tanks-in-series model, 865–867

two-parameter model, 889

volume, 142–143

zero-order parameter models, 889

Convective diffusion, 933, 942

Convective-flow component, 957

Convective transport, 744–746

Conversion

basis of calculation, 36

BR, CSTR, PFR, and PBR, 68

definition, 36

function of, 42, 69

heat effects in PFRs and PBRs, 598–599, 656

multiple reactions, 313

and reaction rate profiles, 50

Conversion surface, 962, 963

Coolant

co-current flow, 596

energy balance, 595, 596, 597

enthalpy of, 596

exothermic reactions, 595, 620

heat transfer fluid, 596, 597

mass flow rate, 603

Coolant balance, 961

Cooling coil, 628–630

Cooling water system, 724

Countercurrent flow, 609

heat-transfer fluid, 597–598

Countercurrent heat exchange, 606–608, 617–619, 649–650

Coupled differential equations, 994

CRC Handbook of Chemistry and Physics, 625

CRE. See Chemical reaction engineering

CRE algorithm, 162, 174, 177, 185, 201, 208

CRE Web Resources, 1027–1028

Critical thinking actions (CTAs), 876–877

Crystalline aluminosilicates, 443

CSB. See Chemical Safety Board

CSTR. See Continuous stirred-tank reactor

Cumulative distribution function F(t), 853, 861, 864, 878

CVD. See Chemical vapor deposition

Cyanamide, 252, 254

Cyclobutane, 369

Cyclohexane, 443

Cytidine, 897

D

Damköhler number, 171, 176, 514–515, 893, 895, 938, 940

Danckwerts boundary conditions, 746, 888, 936, 937, 946

Danckwerts, Peter V., 844, 846

Darcy’s law, 247

Database, 81

DDT. See Dichlorodiphenyltrichloroethane

Deactivation

activated water molecule, 375

reverse of reaction, 376

Death phase, 404

Decay rate laws, 507, 509, 511

Decomposition, 5

acetaldehyde, 368

active intermediate, 374

azomethane, 370, 373, 425

of cumene, 463, 469

hydrogen peroxide, 383

urea, 378

Dehydrogenation

butane to butene, 243

ethylbenzene to styrene, 242

propane, 243

Dehydrogenation catalyst, 446–447

Deoxyribonucleic acid (DNA), 401

Department of Energy (DOE), 242

Derivation of differential equation, single spherical catalyst pellet, 795–798

Design equation, 38, 41–42

Desired reactions, 311

Determination of limiting situations, from reaction-rate data, 823–824

Dichlorodiphenyltrichloroethane (DDT), 6, 67

Diethanolamine, 310

Diethylene glycol dimethyl ether (diglyme), 715, 716, 723

Differential catalyst bed, 290

Differential equations

coupled differential equations, 994

first-order ordinary differential equations, 994

for first-order reaction, 801–802

second-order ordinary differential equations, 995

Differential reactors, 480, 515, 529

catalytic-rate data, 292–297

reaction-rate data, 290–292

Differentiation, 993

Differentiation formulas, 279

Diffusion

boundary conditions, 746, 747

chemical reaction, 748–750

and convective transport, 744–746

definition, 741–742

Fick’s first law, 743–744

molar flux, 742–743

mole balance, 740

plug-flow, 740

and reaction effects, 740–741

and reactions

in homogeneous systems, 792

Mears criterion for external diffusion limitations, 816

in spherical catalyst pellets. See Spherical catalyst pellets

temperature and pressure dependence, 746, 747

Diffusivity phase (gases, liquids, and solids), 747

Dilution rate, 418, 419, 420, 426

Dimensionless concentration profile, 802

Dimensionless form of equations, diffusion and reaction, 798–801

Dimensionless residence time, 878, 919

Dimerize propylene, 57

Dimersol G unit, 57

Diphenyl, 87–88

Dirac delta function, 860–861, 893

Dispersion, 446

Dispersion coefficient (D_a)

axial mixing effects, 941

closed-closed system, 946–947

correlations, 944

effluent concentration, 945

isothermal reactors, 949–951

open-open vessel boundary conditions, 947–949

packed beds, 944, 945

and Péclet Number, 941–943

in pipes, 944

tubular reactor, 945

unsteady-state tracer balance, 945

Dispersion model, 888

vs. tanks-in-series model, 951–952

Dissociative adsorption, 453–454, 456–458

DNA. See Deoxyribonucleic acid

Doubling times, 406

Dual-site mechanism, 458–460

Dust Explosion Dynamic (Ogle), 763

E

Eadie–Hofstee plot, 385, 386, 387, 388

Early and late mixing for second-order reaction, 867–869

E(t)-curve, 850–851

Effective diffusivity, 793–795

Effective lubricant design, 1021

Effective transport coefficient, 753

EG. See Ethylene glycol

Electromotive force (EMF), 461

Elementary rate law, 235, 252, 253

α reaction order, 79

β reaction order, 79

Collision theory, 80

elementary reaction, 80

gas- and liquid-phase reactions, 81

molecular oxygen, 80

nonelementary reaction, 80

power law models, 79

reaction order, 79–80

reaction rate laws, 81–82

units of –r_A, 79

Elementary reaction, 454

Eley–Rideal mechanism, 460

EMCD. See Equal molar counter diffusion

Emergency pressure relief systems, 724

Emergency quenching system, 724

Endothermic reactions, 594, 711

Energy (work), 1000

Energy balance, 543, 559, 580, 597, 599, 604–605, 612–613, 619, 620, 626, 627, 629, 958–960

on batch reactors, 684–685

adiabatic operation of batch reactor, 686–693

batch reactor with interrupted isothermal operation, 693–700

on common reactors, 547–549

on the coolant, 595, 596

dissecting the enthalpies, 553–554

equations, 551–557

evaluating the work term, 544–546

first law of thermodynamics, 543–544

heat of reaction, 551–553

overview of, 546–551

PFR, 592–594

steady-state molar flow rates, 551–553

on well-mixed open system, 544

Energy flux, 958, 959

Engineering control, 144

Enthalpy, 546, 553–554

of formation, 553, 554–555

Enzymatic reactions, 425

batch reactor, 389–391

bioreactors, 399

catalyzes, 378

competitive inhibition, 392–394

enzyme–substrate complex, 378–380

inhibition of, 391–392

mechanisms, 380–382

Michaelis–Menten equation, 383–388

noncompetitive inhibition (mixed inhibition), 396–398

principles of enzyme kinetics, 377

property of, 378

reaction coordinate for enzyme catalysis, 377, 378

reversible inhibition, 392

substrate inhibition, 398–399

therapeutic proteins, 377

TV advertisements, 392

uncompetitive inhibition, 394–396

Enzyme–substrate complex

active catalytic sites, 379

active intermediate, 381

chymotrypsin, 379

classes of, 380

definition, 378

and ionic intermediates, 369

models for, 379, 380

pseudo-steady-state hypothesis, 392

type of interactions, 379

EO. See Ethylene oxide

Equal-area graphical differentiation, 992–993

Equal molar counter diffusion (EMCD), 745

Equalmolar feed, 122

Equilibrium constant, 568–569

Equilibrium conversion, 255–256, 563, 566–571

from thermodynamics, 569

Equimolar counter diffusion (EMCD), 796

Ergun equation, 156, 187, 189, 194

Esterification reactions, 249

Ethane, 208, 209

Ethyl acetate, 707

Ethylbenzene, 349

Ethylene, 181, 203, 209

Ethylene glycol (EG), 164, 173, 174

concentration of, 166

production of, 208

safety of, 178

Ethylene oxide (EO), 164, 173, 202, 209, 310

Ethylidyne chemisorbed on platinum, 445

Ethynylation, 825

Exothermic reaction, 90, 556, 566–567, 711

interstage cooling for, 573–575

Exothermic reactions, 60, 234, 594

Exponential growth phase, 404

Exponential integral, 895

External-age distribution, 859, 860

External area per unit reactor volume, 822

External mass transfer, 816

External mass transfer–limited reactions, 823, 824

Extinction temperature, 635

ExxonMobil’s Torrance California refinery’s electrostatic precipitator unit, 519–522

F

Falsified kinetics, 809–811

Faujasite-type zeolite, 444

Faulty pressure relief valve, 144

FCC. See Fluid catalytic cracking

F(t) curve, 854

Fed batch, 399

Feed stream, 51, 52

Femtosecond spectroscopy, 369

Fick’s first law, 741, 743–744, 750

Fick’s law, 942

diffusion of, 933

Fires

triangle. See Fire triangle

ways to prevent, 350–351

ways to protect from, 351

Fire triangle, 349

fuel, 350

ignition source, 350

oxygen, 350

First law of thermodynamics, 543–544

First-order liquid-phase reaction, 542

First-order ordinary differential equations, 994

First-order rate law, 81, 752–753

First-order reaction, 274, 800–801, 804, 808, 811, 828, 889

active intermediates, 372–373

in CSTR, 168–169

differential equation for, 801–802

ideal CSTR, 893–896

ideal PFR, 893–896

laminar-flow reactor, 893–896

micromixing, 897

reaction rate, 889

segregation model, 892–893

tanks-in-series vs. segregation, 912

Five-point quadrature formula, 996

Fixed coordinate system, 742–743

Flammability limit, 350

Flash point, 350

Flow, reaction, and axial dispersion, 937–939. See also Dispersion coefficient (D_a)

isothermal laminar flow reactors, 941–949

Flow reactors, 125

continuous-flow systems, 39

continuous stirred-tank reactor, 40

first-order dependence, 42

function of conversion, 42

gas systems, 39

infinite reactor volume, 43

laboratory-bench or pilot-plant reaction system, 66

liquid systems, 39

molar flow rate, 39

packed-bed reactor, 41–42

rate of reaction, 42

reactor design and staging, 43–45

in series. See Series

sizing, 43, 46–51. See also Sizing

tubular flow reactor, 40–41

zero-order reactions, 43

Flow systems, 140–141, 146, 551

concentrations, 126

flow reactor, 125

gas-phase concentrations. See Gas-phase reactions

liquid-phase concentrations, 126–127

stoichiometric table, 125

Fluctuations, 935

Fluid catalytic cracking (FCC), 519, 520

Fluidized bed reactors, 20, 85, 826, 831

“Fluidized” CSTR, 480, 489

Fluid Péclet number (Pe_f), 935

Fluid–solid reactions, 443

Fluid velocity, 748

Force, 1000

Fouled pellet, 759

Fouling or coking, deactivation, 502–503

Fourier’s law, 743, 958

Fraction of molecular collisions

Boltzmann distribution, 96

energy distribution, 94

rate of reaction, 95

velocities, 93–94

Free-radical mechanism, 83

Free radicals, 369

Free-stream liquid velocity, 757

Frössling correlation, 751, 757–758

Fuel, 350, 351

Function of conversion, 132–134, 136

Fundamentals of Industrial Catalytic Processes (Farrauto and Bartholomew), 506

G

GAMES, 92

Gas–carbon interface, 761

Gas catalytic system, 498

Gas-hourly space velocities, 65

Gasoline, 571, 572

Gas-phase diffusivity, 774

Gas-phase flow systems, 118

Gas-phase reactions, 14, 38, 47, 146, 147, 156, 160, 230

algorithm for, 233

concentration of reacting species, 185

flow reactors with volumetric flow rate, 127–131

generic power-law rate law, 232

hydrodemethylation of toluene, 135

microreactor, 235–239

molar flow rates, 135, 230, 231, 234

mole balance, 135, 232

in packed beds, 156

partial pressures, 135

plug-flow reactor, 232, 238, 258–259

in plug-flow reactor, 180

pressure-drop equation, 232

in SO₂, 132–134

SO₂ oxidation, 135–138

stoichiometric tables, 127

stoichiometry for, 186

synthesis of ammonia, 127

thermodynamic relationships, 1003–1005

in tubular reactors, 178

volumetric flow rate, 127

Gas–solid catalyzed reactions, 7, 85, 118, 243

Gas–solid heterogeneous reactions, 270

Gas–solid interactions, 445–446

Gas systems, 39

Gas velocity, 767

Gas volumetric flow rate, 65

General mole balance equation (GMBE), 8–10, 13, 15

Generic power-law rate law, 232

Germanium epitaxial film, 490

GHS. See Globally Harmonized System

Gibbs free energy, 1005

Globally Harmonized System (GHS), 104

Globules, 889, 890, 900

Glyceryl stearate, 123, 124

GMBE. See General mole balance equation

Gourmet foods, 1022

Gram of catalyst (g-cat), 136

Graphical differentiation method, 278

Graphical User Interface, 103

Gravitational conversion factor, 1001

Guassian 16, 92

H

“Hall of Fame” reaction, 76

Hand calculation, 905–906

Hanes–Woolf plot, 385, 412–413

Harriott, P., 768

Hazard, 210, 212

Hazardous chemicals used, 723

Head-space mole balance, 718–719

Heat capacity of solution, 684

Heat effects, 756

Heat exchange

algorithm to flow reactors, 594–595

PFR energy balance, 592–594

tubular reactor, 592

Heat exchanger, 234, 687, 693

batch and semibatch reactors with. See Batch and semibatch reactors

in batch reactor, 691–693

energy balance on, 685

heat load on, 573–574

Heat of reaction, 552, 555–556

Heat transfer coefficient, 961

Heat transfer correlation, 780

Heat-transfer fluid

co-current flow, 595–597

countercurrent flow, 597–598

Hemostasis, 333

Heterogeneous catalytic reaction, 443, 448

Heterogeneous reactions, 7, 76, 85–86

catalyst particles, 85

“fluidized” catalytic beds, 85

gas–solid catalyzed reactions, 85

hydrodemethylation of toluene, 85, 86

Langmuir-Hinshelwood kinetics, 85

weight of catalyst, 85

HFCS. See High-fructose corn syrup

High-fructose corn syrup (HFCS), 378

Hilder’s approximation, 895

Holding time or mean residence time, 63

Homogeneous reactions, 76, 82–83

Homogeneous systems, diffusion and reactions in, 792

Hydrodemethylation, 85, 86

Hydrodenitrogenation, 825

Hydrodesulfurization, 825

Hydrodesulfurization reactor design, 1022

Hydrodynamic boundary layer, 748

Hydroformation, 825

Hydrogen, 572, 715, 716

dependence of, 482

and nitrogen, 462

and toluene, 480

Hydrogenation, 825

ethylene to ethane, 494–496

Hydrolysis, 248

Hypothetical stagnant film, 748, 749

I

Ideal CSTR, 893–896, 968

Ideal gas constant, 999

Ideal gas law, 39, 774

Ideal PFR, 893–896, 898

Ideal plug-flow reactor, 846

Ideal reactors, 878, 919

batch and plug-flow reactors, 860–861

laminar-flow reactor, 863–865

real CSTR, 874

real tubular reactors, 973

simple diagnostics and troubleshooting, 870–875

single-CSTR RTD, 861–863

Ignition–extinction curve

description, 634–635

locally stable steady-state values, 636

multiple steady-state temperatures, 635

points of intersection, 634

steady-state temperatures, 634

temperature, 635

unstable steady-state temperatures, 635–636

Ignition point, 634

Ignition source, 350

Ignition temperature, 635

Incident, 210, 212

Independent reactions, 310

Induced fit model, 379, 380

Industrial disasters, 25

Industrial reactors, 24, 57, 63

Inert membrane reactor with catalyst pellets on the feed side (IMRCF), 239, 240, 243

Inert tracers

Aris–Taylor dispersion, 933

balances, 933–935

boundary conditions, 935

dispersion model, 933

plug flow, 933

Infinite reactor volume, 43

Initiating event, 210, 212

Inquiry Based Learning (IBL), xxiv

Instantaneous selectivity, 311–313, 316, 322, 352

Instantaneous yield, 312

Integral method

analysis of rate data, 273

batch reactor mole balance and rate law equation, 273

CRE data analysis, 275–277

reaction-rate law, 275

Integral relationships, residence time distribution, 853–854

Integrals

in chemical reactor design, 991–992

numerical evaluation of, 995–997

Integrating factor for series reactions, 994

Interactive computer games (ICGs), 1028

Interactive web modules, 1028

Internal-age distribution I(α), 859–860, 919

Internal diffusion, 793

limited reactions, 806–807

Internal effectiveness factor, 791, 802, 803, 813–815, 821, 828

internal-diffusion-limited reactions, 806–807

isothermal first-order catalytic reactions, 802–806

Thiele modulus, 804

with volume change with reaction, 806

Weisz–Prater criterion for internal diffusion limitations, 807–809

Internal mass transfer, 793

International Union of Pure and Applied Chemistry (IUPAC), 1015

IQMol, 92

Irreversible isomerization, 793

Irreversible liquid-phase reaction, 252

Irreversible reactions, 43, 76

Irreversible surface-reaction-limited rate laws, 478

Isobutane, 560

Isohexanes, 57

Isomerization, 5, 817

of butane, 59

Isothermal first-order catalytic reactions, 802–806

Isothermal gas-phase isomerization, 43

Isothermal laminar flow reactors. See also Laminar flow

dispersion coefficient. See Dispersion coefficient (D_a)

Péclet number, 941–943

Isothermal multiple reactions, 349

Isothermal operation, 696–697

Isothermal reaction, 58

design algorithm for conversion, 157

design algorithm for mole balances, 231

with radial and axial dispersion in LFR, 954–956

Isothermal reactors

design algorithm for conversion, 157

design structure for, 156–160

dispersion, PFR, CSTR and tanks-in-series models, 949–951

inert tracers in. See Inert tracers

Isothermal semibatch reactor, 252–255

Isotherms, 453

J

Jeopardy Game, 148

Jet Propulsion Laboratory, 1015

Jofostan Central Research laboratories, 52

Jofostanian trait, 766–768

K

Karplus, Martin, 100

Karplus’s procedure, 100

Kinematic viscosity, 754, 757, 768

Kinetic expression, 78

Kinetics, 930

Knock intensity, 474

Knudsen diffusion, 745

Kunii, D., 768

Kunii–Levenspiel model for fluidization, 826

Köttlov, Dr. Prof. Sven, 31,81, 116, 303, 344, 624, 709, 974

L

Laboratory-bench reaction system, 66

Laboratory bomb calorimeter reactor, 38

Laboratory Safety, 297–298

Lactobacillus, 410

Lag phase, 403

Laminar flow, 198–199, 200, 201

Aris–Taylor analysis, 953–954

microreactors, 234–235

in pipe, 943

radial diffusion, 942

velocity profile, 860

Laminar-flow reactor (LFR), 178, 863–865

first-order reaction, 893–896

second-order reaction in, 897–900

Langmuir-Hinshelwood kinetics, 85, 460, 464, 522

Langmuir-Hinshelwood models, 270, 284

Langmuir isotherm, 455, 458, 522

LearnChemE videos, 1028

Le Châtelier’s principle, 141, 1005

Length, 1000

LEPs. See Living Example Problems

Lessons learned, 211, 212

Levenspiel, O., 768

Levenspiel plot, 45, 48, 55, 56, 58, 62, 69, 135, 138, 142

LFL. See Lower flammability limit

LFR. See Laminar-flow reactor

Life expectancy, 900, 901

Limiting reactant, 118, 124–125

Linear-least-squares technique, 284

Lineweaver–Burk plot, 385, 386, 388, 394–398, 425

Liquid-hourly space velocities, 65

Liquid phase

mole balances, 230, 231, 232

parameter values for system, 230

semibatch reactor, 260

volumetric flow rate, 230

Liquid-phase batch reactions, 122–123, 123–124

Liquid-phase reaction, 13, 38, 47, 156, 757–758, 897

concentration of reactants, 185

in plug-flow reactor, 179–180

Liquid systems, 39

Little batch reactors, 890, 892

Living Example Problems (LEPs), 141, 239, 605, 613, 940, 1010, 1027

Lock-and-key model, 379, 380

Lower flammability limit (LFL), 350

Lubricants, 1021

Luminescence, intensity of, 375, 376

M

mAb. See Monoclonal antibodies

Macrofluid, 889, 890

Macromixing, 889

Manganese chloride, 715

Manganese dimethylcyclopentadiene, 715, 716

Marketable chemical products, 400

Market Center Building (MCB), 626

Mass, 1000

Mass balances, 418

bioreactors, 413–415

Mass transfer

boundary layer, 450

coefficient, 241, 242, 750–752

diffusion. See Diffusion

divided and undivided systems, 771–773

gas-phase velocity, 780

heat transfer correlation, 780

and limited reactions, 781

overenthusiastic engineers, 773–775

packed beds. See Packed-bed reactor

parameter sensitivity, 770–771

rate of, 780

and reaction in packed bed, 817–819

Sherwood and Schmidt numbers, 780

shrinking core model. See Shrinking core model

single particle. See Single particle

MATLAB, 100, 214, 260, 287, 550, 1011

Maximizing desired product, for one reactant, 316

maximizing the selectivity for Trambouze reaction, 318–322

reaction at low temperature, 318

reaction order of desired product, 316–317

reaction order of undesired product, 317

specific reaction rate of desired reaction, 317

Maximizing the selectivity

with respect to temperature, 320–322

for Trambouze reaction, 318–320

Maximum mixedness model, 920

conversion, 905–906

globules, 900

life expectancy, 900, 901

mole balance, 902

nonideal reactor, 903–904

plug-flow reactor, 900, 901

reactors, 900

volumetric flow rate, 901, 902

vs. segregation predictions, 909–910

Maxwell Boltzmann distribution, 93–94

MCB. See Market Center Building

McCabe, W. L., 768

MCMT. See Methylcyclopentadienyl manganese tricarbonyl

Mean conversion, 891–892

ideal PFR, ideal CSTR and laminar-flow reactor, 893–896

second-order reaction in LFR, 897–900

X_seg, calculations in real reactor, 896–897

Mean residence time, 854–855, 878, 945, 946, 948

Mears criterion, for external diffusion limitations, 816, 822–823, 829

Mechanism

active intermediates, 373–374

enzymatic reactions, 380–382

rules of thumb for development of, 374

Membrane reactors (MRs), 259

catalyst weight, 241, 243

catalytic membrane reactor, 239, 240

ceramic reactors, 240

dehydrogenation. See Dehydrogenation

Department of Energy, 242

description, 239

endothermic, 239

exothermic, 239

gas phase, 230

gas–solid catalytic reaction, 243

hydrogen molecule, 239

to improve selectivity in multiple reactions, 343–347

inert membrane reactor with catalyst pellets on the feed side, 239, 240

mass transfer coefficient, 242

molar flow rate, 247

molar flux, 241

mole balances, 241, 243–244

numerical solution, 245

parameter evaluation, 245

Polymath program, 246

rate of diffusion, 243

rates, 244

reversible reaction, 239

stoichiometry, 244–245

thermodynamically limited, 239

transport and reaction, 242

transport coefficient, 244

types of, 239

use of, 247–248

Wolfram variables, 246

Membrane Reactor Technology, 242

Mercapto-propanal-L-praline, 392

Metal-oxide, semiconductor, field-effect transition (MOSFET), 490

Methane (M)

and benzene, 480

dependence of, 481

Methanol poisoning, 1024

Methanol synthesis, 1022

Methyl amine, 252, 254

Methyl bromide, 252, 254

Methylcyclopentadiene (MCP), 715

Methylcyclopentadiene dimer, 716

Methylcyclopentadienyl manganese tricarbonyl (MCMT), 715, 716, 723

Michaelis constant, 383, 384, 386, 393–394

Michaelis–Menten equation

affinity constant, 383

parameters V_max and K_M, 383–388

rate of reaction, 383

single-enzyme molecule, 383

substrate concentration, 383

Microelectronic fabrication

chemical vapor deposition, 490–493

fabrication of, 490

semiconductors, 490

surface reactions, 490

Microfluid, 889, 890

Micromixing, 889

Microplant, 234, 235

Microreaction systems, 234

Microreactor

advantage of, 234

exothermic reactions, 234

gas-phase reaction, 235–239

heat exchanger, 234

microplant, 234, 235

surface-area-to-volume ratio, 234

use, 234

Microsoft Excel, 1011–1012

Mitigating action, 143, 144

Mixed inhibition. See Noncompetitive inhibition

Mixing, in nonideal reactors, 845

Mixing, RTD, 888–890

Model discrimination, 493–496

Modifications to CRE algorithm, for multiple reactions, 314–315

Molal enthalpy, 553

Molar feed rate, 247

Molar flow, 740, 744, 746, 756, 764

Molar flow rate, 28, 39, 44, 53, 128, 129, 230, 237, 247, 552

heat effects in PFRs and PBRs, 600, 656

membrane reactors. See Membrane reactors

microreactor. See Microreactor

semibatch reactors. See Semibatch reactors

species j, 129

of tracer, 934

Molar flux, 241, 742–743, 744, 780, 956–958

Molar rate of mass transfer, 812

Mole balance, 38, 63, 68, 161, 174, 194, 241, 243–244, 259, 315, 320, 326–327, 330–331, 335, 600, 604, 612, 625–634, 639, 643, 646, 688, 695, 703, 708, 712, 775, 796, 817, 894, 898, 902, 960

batch reactor, 270

constant-volume batch reactor, 273, 287

CRE algorithm, 280–281

differential PBR, 270

on ethylene oxide, 164

gas phase, 232–234

liquid phase, 230–232

for multiple reactions, 314

on O₂, 762

power-law model, 270–271

and rate law equation, 271, 273

on reactor, 53

on second reactor, 177

semibatch reactor, 249–253

on species, 27, 37, 236, 593

straight-through transport reactors, 515, 516

zero-order reaction, 273

Mole balance (design equation), 185, 542

Molecular adsorption, 453, 454–456

Molecular diffusion, 933, 942

Molecularity, 76

Molecular Modeling in Chemical Reaction Engineering, 92

Molecular properties, 1025

Molecular sieves, 443

Molecular simulations

historical perspective, 100–101

stochastic modeling of reactions, 101–103

Molecular trajectories, 103, 109

Monoclonal antibodies (mAb), 400

Monod equation, 400, 405, 406, 410, 412, 418, 424, 436

Monte Carlo simulation, 100

MOSFET. See Metal-oxide, semiconductor, field-effect transition

Moving-bed reactors

catalytic cracking, 512–514

commercial use, 510

Damköhler number, 514–514

mole balance, 511

rate of reaction, 511

reactant feed stream, 510–511

regenerated catalyst, 510

MRs. See Membrane reactors

MSS. See Multiple steady states

Multiphase reactors, 824–825

slurry reactors, 825–826

trickle bed reactors, 826

Multiple gas-phase reactions, in PBR, 335–339

Multiple reactions, 727, 920

algorithm for, 313–314, 352–353

conversion, 313

definitions, 310–313

maximum mixedness model, 913

modifications to CRE algorithm for, 314–315

mole balances for, 314

RTD and complex reactions, 913–917

segregation model, 912–913

selectivity, 311–312

in semibatch reactor, 711–714

types, 310–311

yield, 312–313

Multiple steady states (MSS)

concept of, 630

energy balance and mole balance, 630, 631

heat-generated term, G(T ), 633–634

heat-removed term, R(T ), 632

ignition–extinction curve, 634–637

ODE solver, 631

Multitude of equations, 158

N

National Fire Protection Agency (NFPA) Diamond, 66–67

National Fire Protection Association (NFPA), 104

National Institute of Standards and Technology (NIST), 1015

National Oceanic and Atmospheric Administration (NOAA), 654

Net rates of formation, 77

NFPA. See National Fire Protection Association

NFPA Diamond. See National Fire Protection Agency Diamond

Nicotinamide phosphoribosyltransferase, 396

Nitric oxide (NO), 819–821

Nitrogen, 97

Nitrous oxide (NO) gas, 235

N-methyl-2-pyrrolidone (NMP), 898

NMP. See N-methyl-2-pyrrolidone

NOAA. See National Oceanic and Atmospheric Administration

Nomenclature, 1017–1019

Non-adiabatic CSTR, 622, 632

Non-coalescent globules, 889

Noncompetitive inhibition

definition, 392, 396

Lineweaver–Burk plot, 397, 398

rate law for, 396

reversible reaction paths, 396

steps, 397

trends and relationships, 398

Nonelementary rate laws

apparent first-order reactions, 83–85

heterogeneous reactions, 85–86

homogeneous reactions, 82–83

Nonelementary reaction, 80

Nonenzymatic lipoprotein, 333

Nonideal reactors, 844, 845, 879, 903–904, 910

balance equations, 937–938

closed-closed system, 938–939

conflicting goals, 930

CSTRs and PFRs, 972–973

developing models, 930–932

dispersion and reaction, 952–954

guidelines, 931

inert tracers. See Inert tracers

isothermal laminar flow reactors. See Isothermal laminar flow reactors

kinetics, 930

laminar-flow reactor, 954–956

mixing, 888–890

modeling, 888

one-parameter models, 932

pharmacokinetic modeling, 973–974

tanks-in-series model vs. dispersion model, 951–952

tubular reactor. See Tubular reactor

two-parameter models, 932–933

Nonisothermal exothermic reactions, 51

Nonisothermal multiple reactions, 349, 711–723

Nonlinear regression

concentration–time data, 287–288

data point, 284–285

linear-least-squares technique, 284

minimum sum of squares, 285, 286

model discrimination, 290

model parameters k, K_B, and K_T, 484–486

parameter values, 284, 286–287

Polymath, 284, 495

reaction order and specific reaction rate, 285, 286

techniques, 348

Nonreactive trajectory, 100

Nonseparable kinetics, 497

Normal butane, adiabatic liquid-phase isomerization of, 560–566

Normalized RTD function E(Q), 859

Notre Dame Radiation Laboratory, 1015

Numerical differentiation formulas, 278–279

Numerical evaluation of integrals, 995–997

O

Observed rate of reaction, 803

Occupation Safety and Health Administration (OSHA), 104

Octane, 571

Octane number of gasoline, 474–475

ODEs. See Ordinary differential equations

ODE solver. See Ordinary differential equation solver

Ogle, R. A., 763

One-parameter models, 888, 932

continuous stirred-tank reactor, 932

in T-I-S model. See Tanks-in-series (T-I-S) model

tubular reactors, 932

O-nitrochlorobenzene (ONCB), 693–695

Open-ended problems, 1021–1024

Open-open vessel boundary conditions, 935, 947–949

Optimum feed temperature, 575–579

Ordinary differential equations (ODEs), 23, 24, 631, 652, 937

Ordinary differential equation (ODE) solver, 214–215

Organometallic catalyst, 57

OSHA. See Occupation Safety and Health Administration

Ostwald ripening, 498

Overall effectiveness factor, 811–815, 822, 828

Overall selectivity, 312

Overall yield, 312, 352

Oxidation, 825

Oxidizing agent, 350

Oxygen, 350

Oxygen diffusion, 759

P

Packed-bed reactor (PBR), 18–19, 56, 137, 764, 844, 888

complex gas-phase reactions in, 335–339

deactivation process, 505

decay laws, 506–507

dispersion coefficient, 944, 947

flow, 944

flow reactors, 41–42

with heat exchange, 547

Jofostanian trait, 766–768

mass transfer–limited reactions, 763–766

movement of activity front, 505

poisoning by reactants or products, 506

reactor design, 480

space satellite, 768–770

in terms of conversion, 547

in terms of molar flow rates, 548

Parabolic velocity profile, 941

Parallel reactions, 310

maximizing desired product for one reactant, 316–322

reactor selection and operating conditions, 322–325

selectivity, 316

Parameter sensitivity, 770–771

Partial differential equation (PDE), 742, 943, 956

Partial pressures, 135, 147

PBR. See Packed-bed reactor

PDE. See Partial differential equation

Peach bottom nuclear reactor, 1021

Peclet–Bodenstein number, 952

Péclet number (Pe_r), 935, 939–945, 948, 952

Penicillium chrysogenum, 404

Perfectly mixed CSTR, 317

Personal protective equipment (PPE), 143

PFR. See Plug-flow reactor

PFR/CSTR series RTD, 866–869

PFR/PBR design

endothermic reaction, 610–619

exothermic reaction, 603–610

gas-phase reactions with heat effects, 598–603

Phosgene, 82–83

Phthalic anhydride, 2

Physical adsorption, 445

Pilot-plant reaction system, 66

Platinum on alumina, 476

Plug-flow reactor (PFR), 15, 17, 232, 258–259, 317, 900, 901

algorithm, 561–563

complex reactions, 645–652

and CSTR, 42, 43, 51–52, 55–56

Damkohler numbers, 895

design equation, 41

energy balance, 592–594

gas-phase reactions in, 180

with heat exchange, 547

isothermal reactors, 865–867

liquid-phase reactions in, 179–180

multiple reactions, 637–639

multiple reactions in, 548

nonideal reactors, 885–887

packed-bed reactors, 41

parallel reactions, 639–641

RTD function, 893, 919

segregation model for a continuous-flow system, 891

sequencing of reactors, 61–62

in series, 56, 57–58

series reactions, 638–639

sizing, 47–50

Tanks-in-series (T-I-S) model, 865–867

in terms of conversion, 547

in terms of molar flow rates, 548

two-parameter model, 889

zero-order parameter models, 889

Point of no return, 698

Poisoning

deactivation, 503–504

in feed, 504–505

reactants or products, 506

Polanyi-Semenov equation, 99

Polymath program, 23, 24, 48, 138, 139, 140, 145, 160, 185, 201, 205–208, 214, 215, 230, 238, 245, 246, 254, 563, 577, 605, 608, 609, 613, 690–691, 698, 706, 721, 850, 856, 857, 896, 904, 916, 940, 950, 963, 967, 1009–1010

adiabatic operation, 614, 651

co-current exchange, 616, 648–649

constant Ta, 615, 651

countercurrent exchange, 618, 650

Living Example Problems, 1010

nonlinear regression, 284

and output for semibatch reactor, 709

for startup of CSTR, 714

tutorials, 1010

Polynomial, 850, 851, 896, 897, 903, 907– 909, 913–916

Porous catalysts, 443

Potential energy surfaces

bond distortions, hydrogen atom and an ethane molecule, 93

col or saddle point, 90–91

3D plot of, 90–91

energy barrier E_B, 92

equilibrium position, 92

exothermic reaction, 90

GAMES, 92

Guassian 16, 92

IQMol, 92

Molecular Modeling in Chemical Reaction Engineering, 92

Q-Chem, 92

Spartan software, 92

transition state, 92

Power law models, 79–82, 270, 275, 300, 449, 496, 508, 910

PPE. See Personal protective equipment

Practical stability limit, 702, 704–706

Pressure, 1000

Pressure drop

analytical solution for reaction with, 194–197

calculating X in reactor with, 202–208

effect on conversion profile, 196–197

in packed bed, 187–193

in pipes, 191–193

and rate law, 185–186

in reactors, 185

second-order gas-phase reaction in PBR, 194–195

Pressure-drop equation, 232, 595

Pressure-drop parameter, 190, 198–201, 237, 486

Pressure equilibrium constant, 136

Probability function of reaction, 101

Processed data, 276, 279, 282

Process safety, 25

Process safety triangle

application, 423–424

example of, 424

levels of, 422–423

Product-inhibited reactions, 51

Professional Reference Shelf, 1028

Promoters, 444

Propylene, 5

Propylene glycol, 702

adiabatic CSTR, 623–628

Propylene oxide, 702, 704, 705

Pseudo-steady-state hypothesis (PSSH)

azomethane, 370–372

enzyme–substrate complex, 392

Polymath solution, 377

rate law, 370, 478

theory of active intermediates, 369–370

PSSH. See Pseudo-steady-state hypothesis

Pulse input experiment, residence time distribution, 847–852

Python, xxiv, 23, 95, 185, 193, 197, 205, 215, 246, 260, 339, 417, 519, 613, 614, 699, 705, 706, 775, 1010–1011, 1028

Q

Q-Chem, 92

QSSA. See Quasi-steady state assumption

Quadrature formula, 48

Quasi-steady state assumption (QSSA), 760

Questions Before Reading (QBR), 29, 70, 109, 148, 217, 262, 301, 355, 429, 526, 658, 729, 733, 734, 782, 832, 880, 920, 979

R

Rapid reaction, 754

Rate constant, 78

Rate data

analysis of, 270–271

AWFOS–S7 Laboratory Safety, 297–298

experimental planning, 297

graphical differentiation method, 278

integral method, 273–277

method of excess, 272–273

methods, 269, 277–278

nonlinear regression. See Nonlinear regression

numerical method, 278–279

rate law, 280–284

rate-law parameters, 279

reaction-rate data, differential reactors, 290–292

Rate law, 76, 78, 103–104, 141–142, 147, 161, 174, 186, 195, 316, 326, 336, 340, 345, 348, 371, 376, 389, 404–407, 415, 449, 486, 542, 598– 600, 604, 612, 625, 629, 640, 643, 646, 688, 695, 703, 708, 712, 797, 893, 894, 960, 968

azomethane, 370

for competitive inhibition, 393

determining, 280–284

energy needed for crossing the barriers, 78

for ethylene oxide hydrolysis, 165

experimental data, 481–482

law of mass action, 78

molecular simulations, 100–103

Monod growth, 426

for noncompetitive inhibition, 396

nonelementary. See Nonelementary rate laws

parameters. See Rate-law parameters

potential energy surfaces, 78

power law models. See Elementary rate law

pseudo-steady-state hypothesis, 371, 478

rate of reaction, 78

reaction-rate constant. See Reaction-rate constant

reactor sizing and design, 103–104

reversible reactions. See Reversible reactions

rules of thumb, 374

synthesizing, 463–466

temperature dependence of, 479

for uncompetitive inhibition, 395

urea decomposition, 389

Rate-law equation, partial pressure, 137

Rate-law parameters, 288–289

concentration–time data, 287

homogeneous reactions, 272

nonlinear regression, 284

rate law and, 270–271, 293, 299

Rate-limiting step (RLS), 523

adsorption of cumene, 463, 466–469

decomposition of cumene, 463, 473–474

initial reaction rate, 466

Langmuir–Hinshelwood kinetic mechanism, 464

rate of benzene desorption, 465

reforming catalysts, 474–478

surface reaction, 470–473

surface reaction equilibrium constant, 465

Rate of accumulation, 9

Rate of adsorption, 454, 455, 456, 458, 461, 466, 523

Rate of benzene desorption, 465

Rate of change of energy, 1001

Rate of formation, 8

Rate of generation, 8, 9

Rate of product formation, 408

Rate of reaction, 4–8, 156

Rates of chemical reactions, 76

Rates of disappearance and formation, 6–7

Raw data, 275, 279, 292–297, 306

Reactants, 14

Reacting species, 888

moles of, 118, 119

Reaction

at low temperature, 318

in series. See Series reactions

Reaction energetics, 1025

Reaction order, 107

of desired product, 316–317

of undesired product, 317

Reaction rate, 14, 18

Reaction-rate constant

activation energy. See Activation energy

Arrhenius plot. See Arrhenius plot

law of mass action, 89

temperature, 89–90

Reaction-rate data

differential reactors, 290–297

Reaction-rate law, 7, 466, 467, 497, 500, 1015

Reaction-rate parameters, 952

Reaction yield, 312

Reactive distillation, 249

Reactive intermediates, 478

Reactive trajectory, 100

Reactor

mole balances, 718

selection and operating conditions, 322–325

sizing and design, 103–104

volume, 20–24

Reactor and conditions, to minimize unwanted products, 324–325

Reactor design, 1

catalytic reactor design, 486–489

chemical reaction engineers, 479

differential reactor, 480

experimental observations, 483–484

model parameters k, K_B, and K_T, 484–486

packed-bed reactor, 480

rate law. See Rate law

rate-law parameters, 484

Reactor Lab, 1013, 1028

Reactor staging, with interstage cooling or heating

endothermic reactions, 571–575

exothermic reactions, 571

Real CSTR model. See also Tubular reactor

bypassing and dead space, 965–966

CSTRs with interchange, 968–970

Real reactor, 845, 892

Real reactor volume, 932

Real tubular reactors, 973

Reciprocal rate, 43

Reforming catalysts

irreversible surface-reaction-limited rate laws, 478

isomerization, 476

octane number of gasoline, 474–475

platinum on alumina, 476

reaction mechanism and rate-limiting step, 477

spectroscopic measurements, 478

Relative rates of reaction, 76, 77–78, 118

Residence time, 846

Residence time distribution (RTD), 844, 845–846, 869, 875

characteristics of, 853

integral relationships, 853–854

mean residence time, 854–855

diagnostics and troubleshooting, 869–875

different nonideal reactor situations, 870

dimensionless residence time, 919

ideal reactor, 919

in ideal reactors. See Ideal reactors

internal-age distribution, 859–860, 919

measurement of, 846–847, 848

nonideal reactors, 888–890

normalized RTD function, 859

other moments of, 855–858

PFR/CSTR series, 866–869

pulse input experiment, 847–852

software packages. See Software packages

step tracer experiment, 852–853

tanks-in-series model. See Tanks-in-series (T-I-S) model

zero-adjustable-parameter models. See Zero-adjustable-parameter models

Reversible inhibition, 392

Reversible reactions, 76, 138, 239

benzene (B), 86–87

endothermic reactions, 89

equilibrium constant K_C, 86, 88

formation of diphenyl, 87–88

rate laws, 86

thermodynamic relationship, 86

Reynolds (Re) number, 751, 754, 767, 786, 935, 943, 944, 754, 767

Rhizobium trifolii, 407

Ribonucleic acid (RNA), 401

RLS. See Rate-limiting step

RNA. See Ribonucleic acid

RTD. See Residence time distribution

Runaway reactions, 322, 700, 723, 724

safety in chemical plants with, 693–700

R.W. Paul’s six types critical thinking questions, 827

S

Saccharomyces cerevisiae, 411, 415

SAChE program. See Safety and Chemical Engineering Education program

SAChE Web site

chemical reactivity hazards, 654

membership, 655

runaway reactions, 654

rupture of a nitroaniline reactor, 654

Seveso accidental release case history, 654–655

Safety, 1024

Safety Analysis of the Incident algorithm, 210–213

Safety and Chemical Engineering Education (SAChE) program, 654–655

Safety disk rupture failure, 699–700

Safety statistics

causes of batch reactor accidents, 653

Chemical Engineering Curriculum Web Site, 652–653

chemical reactivity, 654

incidence of batch process accidents, 653

nitroaniline explosion, 653

Safety and Chemical Engineering Education, 654–655

Sapphire Energy, 400

Scavenger, 376

Schmidt (Sc) number, 751, 752, 754, 943, 944

Secondary nutrient, 409–410

Second-order ordinary differential equations, 995

Second-order rate laws, 81

Second-order reaction, 274, 276

batch reactor equation, 903

in CSTR, 169–170

isothermal semibatch reactors, 252–255

in laminar-flow reactor, 897–900

Second reactor, 574–575

Segregation model, 235, 919

batch reactors, 891

completely micromixed fluid, 890

continuous-flow system, 891

continuous stirred tank reactor, 890

first-order reaction, 892–893

fluid elements, 890

little batch reactors (globules), 890

mean conversion, 891–892. See also Mean conversion

multiple reactions. See Multiple reactions

physical insight, 892

RTD function, 891

vs. maximum mixedness predictions, 909–910

Seldom, 62

Selectivity

multiple reactions, 311–312

parallel reactions, 316

Semibatch operation, with heat exchanger, 707–710

Semibatch reactors, 259, 726

complex liquid-phase reactions in, 341–343

and CSTR, 248

energy balance on, 701

heat effects in, 707–710

mole balances, 249–252

multiple reactions in, 711–714

second-order reaction, 252–255

type of, 248

use, 249

Semiconductors, 490

Semi-log graphs, 997

Separable deactivation kinetics, 506

Separable kinetics, 497

Series

adiabatic liquid-phase isomerization, 59–61

conversion, 51

CSTRs, 52–56

CSTR vs. PFR, 57–58

feed stream, 52

plug flow reactor, 56

sequencing of reactors, 61–62

Series–parallel reactor system, 888

Series reactions, 310

in batch reactor, 325–329

in CSTR, 329–332

PFR, 332–333

Shell balance on catalyst pellet, 796

Shell-side pressure, 247

Sherwood number, 751, 756, 768

Shrinking core model

combustion time, single particle, 762–763

constant total molar concentration, 760

dust particles surface, 760

elemental carbon, 761

gas–carbon interface, 761

gas-phase species, 758

molar density of solid carbon, 761

mole balance on O₂, 762

principles of, 759

quasi-steady state assumption, 762

solid combustible dust particles, 758

solid organic particles, 759–760

solid surface, 759–760

spherical dust particle, 761

time release of drugs, 758

Silica-alumina

cracking catalyst, 443

dehydrogenation catalyst, 444

Simpson’s one-third rule, 995–996

Simpson’s rule, 49, 60

Simpson’s three-eighths rule, 996

Single continuous-stirred tank reactors, 168–171

Single-CSTR RTD, 861–863

Single particle

catalyst particle, 752–755

first order rate laws, 752–753

liquid phase reaction, 757–758

mass transfer of oxygen to carbon particle, 755–757

Single-site mechanism, 458

Sintering (aging)

deactivation, 498–500

Site balance, 453, 468

Sizing

CSTR, 46–47

CSTR vs. PFR sizes, 50–51

definition, 43

first-order dependence, 42

function of conversion, 42

infinite reactor volume, 43

irreversible reactions, 43

mole balance, 42

plug-flow reactor, 47–50

reactor design and staging, 43–45

reciprocal rate, 43

Slow reaction, 754–755

Slurry reactors, 825–826, 830

Smith, J. C., 768

Soap, 123

Sodium chloride, 715

Sodium hydroxide, 123, 124, 707

Sodium methylcyclopentadiene, 715, 726

Software packages, 997

Aspen, 1013

COMSOL, 1012

MATLAB, 1011

maximum mixedness model, 907

Microsoft Excel, 1011–1012

ODE solver program, 907

Polymath, 1009–1010

Python, 1011

Reactor Lab, 1013

segregation vs. maximum mixedness predictions, 909–910

use, maximum mixedness model, 908–909

Wolfram, 1010–1011

Solid catalyst, 18

Solid combustible dust particles, 758

Sonoluminescence, 375

Space satellite, 768–770

Space time (t), 62–64, 65, 69

Space time tau, 63

Space velocity (SV), 64–65, 69

Spartan software, 92

Specific reaction rate of desired reaction, 317

Spherical catalyst pellets, diffusion and reactions in, 793

derivation of differential equation, 795–798

differential equation for first-order reaction, 801–802

effective diffusivity, 793–795

equation in dimensionless form, 798–801

Spherical dust particle, 761

Split-boundary-value problem, 939

Stable steady-state temperatures, 637

Standard temperature and pressure (STP), 65

Startup of CSTR, 702–706

Stationary phase, 404, 408–410

Steady-state energy balance, 556

Steady-state molar flow rates, 551–553

Steady-state nonisothermal reactor design

complex reactions, PFR, 645–652

CSTR with heat effects. See CSTR, with heat effects

heat exchange. See Heat exchange

heat-transfer fluid. See Heat-transfer fluid

multiple reactions, CSTR, 642–645

multiple steady states. See Multiple steady states

parallel reactions in PFR, 639–641

PFR/PBR design. See PFR/PBR design

plug-flow reactors, 637–639

radial and axial temperature variations, 652

Stepanek, J., 768

Step tracer experiment, residence time distribution, 852–853

Stereospecific catalysts, 400

Stern–Volmer equation, 374–377

Stirred reactors

ammonolysis, 248

chlorination, 248

CSTR, 248

hydrolysis, 248

semibatch reactors, 248

unsteady operation, 248

Stochastic modeling of reactions, 101–103

Stoichiometric coefficient

NOCl, 236

species j, 129

Stoichiometric equations, 960

Stoichiometric feed, 122

Stoichiometric table, 146

batch system, 119, 120, 125

continuous-flow reactor, 140

conversion, 121, 147

flow system, 125

function of conversion, 117, 125, 127, 146

gas-phase reaction, 130

SO₂, 132

Stoichiometry, 106, 118, 158, 159, 161, 162, 165, 168, 175, 179, 180, 183, 186, 194, 203, 213, 232, 233, 237, 244, 253, 259, 315, 337, 341, 346, 353, 407–409, 416, 426, 486, 489, 500, 513, 518, 542, 559, 560, 561, 568, 599, 600, 612, 625, 640, 647, 688, 695, 703, 708, 713, 720

Stoichiometry (liquid phase), 542

Stoke’s flow, 756

STP. See Standard temperature and pressure

Straight-through transport reactors (STTR)

catalyst decays, 516–519

mole balance, 515, 516

moving-bed reactors, 515

production of gasoline, 515

rapid decay, 510

and regeneration unit, 520

Streamlines, 941–942

Streptomyces aureofaciens, 421

STTR. See Straight-through transport reactors

Styrene, 349

Substrate (S), 378

Substrate inhibition, 398–399

Sugar/dust explosion, 778–780

Supported catalysts, 444

Surface-limited reaction, 463

Surface reaction, 447, 448, 449

equilibrium constant, 465

rate-limiting step, 470–473

SV. See Space velocity

Sven Köttlov Consulting Company, 626

Swiss Cheese Model, 143–144

System volume, 8

T

Tank reactor, with heat exchanger, 701

Tanks-in-series (T-I-S) model, 910, 911, 919

conversion, 912

nonideal reactors, 910

PFR and CSTR, 949–951

real reactor, 911–912

vs. dispersion model, 951–952

vs. segregation model, 912

Temperature, 1000

Temperature–concentration phase plane, 702

Temperature inactivation, 391

Temperature surface, 962

Temperature–time trajectory, 508–510, 524, 690, 694, 699

Terephthalic acid, 972

Termolecular, 76

TF. See Tissue factor

Therapeutic proteins, 377

Thermal denaturizing, 391

Thermodynamic equilibrium constant, 468, 470

Thermodynamic properties, of molecular species, 1025

Thermodynamics, 138

first law of, 543–544

Thiele modulus, 798, 800–802, 804, 806–808, 821, 829

Thoenes–Kramers correlation, 769

T-I-S model. See Tanks-in-series model

Tissue Engineering, 840–841

Tissue factor (TF), 333–334

T2 Laboratories explosion, 715–723

safety analysis of the incident, 723–725

TOF. See Turnover frequency

Toluene (T)

dependence of, 481

hydrodemethylation of, 480, 482, 486

and hydrogen, 480

Tracer, 846

Tracer balance, 969

Tracer data, 931

Trambouze reactions, 318

Transient heat effects, 56

Transition-state

molecule, 92

theory, 109

Translational kinetic energy, 368–369

Transport law, 743

Trapezoidal rule, 995

Trial-and-error solution, 62

Trickle bed reactors, 825, 826

Tubular flow, 746

Tubular flow reactor, 40–41

Tubular reactor, 14–18, 178–179, 945

axial and radial gradients, 962–963

COMSOL program, 963

differential cylindrical annulus, 956, 957

dispersion and reaction in, 933, 939–941

effect of e on conversion, 180–185

energy balance, 958–960

energy flux, 958

gas-phase reactions in PFR, 180

liquid-phase reactions in PFR, 179–180

molar flux, 956–958

one-parameter models, 932

perfect operation of PFR (P) model, 873

PFR with channeling (bypassing, BP) model, 873–874

PFR with dead volume (DV) model, 874–875

real CSTR. See Real CSTR model

Turbulent flow, 199, 200–201

Turnover frequency (TOF), 446

Two-parameter model, 888, 932–933

with PFR and CSTR, 889

Two-parameter models, 888

U

UFL. See Upper flammability limit

Uncompetitive inhibition, 392, 394–396

Underground wet oxidation, 1022

Undesired reactions, 311

Unimolecular, 76

University of Cologne, 1015

University of Colorado, 1028

Unpacked laminar-flow tubular reactor, 932

Unstable steady-state temperatures, 635

Unsteady-state energy balance, 682–684

Unsteady-state mass balance, 426

Unsteady-state operation

stirred reactors. See Stirred reactors

Unsteady-state tracer balance, 945

Unsupported catalysts, 444

Upper flammability limit (UFL), 350

Uranium (U), 76

V

van der Waals forces, 379, 445

van’t Hoff’s equation, 656, 1004

Variance, 855

Varying-density, 127

Velocity profile, 932

Vessel dispersion number, 935

Viscosity, 1000

Visual encyclopedia of equipment, 1013, 1028

Volume, 1000

of ideal gas, 999

Volumetric flow rate, 39, 62, 126, 127, 129, 130, 230, 898, 901, 902, 911, 932, 963, 972

W

Washout, bioreactors, 419–421

Water-gas shift reaction, 1006–1008

Weisz–Prater criterion, for internal diffusion limitations, 807–809, 829

Who done it?, 113, 219, 222, 226

Wolfram, xxiv, 23, 95, 185, 193, 197, 205, 215, 246, 260, 339, 417, 519, 613, 614, 699, 705, 706, 940, 775, 1010–1011, 1028

Work, 1000

Y

Yield coefficients

bioreactors, 411–413

cells and substrate, 407

stoichiometric, 408, 409

Yield, multiple reactions, 312–313

Z

Zeolite catalysts, 443

Zero-adjustable-parameter models, 888

first-order reaction, 896

maximum mixedness. See Maximum mixedness model

second order reaction, 897

segregation. See Segregation model

Zero-order parameter models, 976

with PFR and CSTR, 889

Zero-order reactions, 43, 51, 274