Index

A

Accumulation in bioreactors, 399

Acetaldehyde

decomposition of,350

from ethanol,316

pyrolysis of,409

Acetic anhydride production, 584-592

adiabatic operation, 584-587

co-current heat exchange, 589-590

constant heat exchange fluid temperature,587-589

countercurrent heat exchange, 590-592

Acetylation reactions, 237

Activation energies

barrier height, 88

and bond strength, 94-95

determination, 92-95

in rate laws, 78

and reaction coordinates, 86

Active intermediates, 350-351

chain reactions in, 359

CRE web site material, 404-407

enzymatic reactions,359-362

first-order rate law, 354-355

mechanism searches in, 355-359

PSSH in, 352-354

questions and problems, 407-417

summary, 403-404

supplementary reading, 417-418

Active sites

in catalysts, 424, 430-431

in enzymes, 361

Adenosine diphosphate (ADP),382

Adenosine triphosphate (ATP),382

ADH (alcohol dehydrogenase),375

Adiabatic operations

acetic anhydride production,584-587

batch reactors, 665-671

butane isomerization, 57-60, 582-583

complex reactions with heat effects, 623-624

CSTRs, 596-600

energy balance, 521, 523

batch reactors, 665-671

equilibrium temperature, 544-546

steady-state nonisothermal design, 531-532

tubular reactors,533

exothermic irreversible gas-phase reactions, 69

feed temperature, 550-553

interstage heat transfer, 546-550

nitroaniline production, 676-677

PFRs, 623-624

propylene glycol production in, 596-600, 666-671

temperature and equilibrium conversion, 541-546

tubular reactors, 532-541

ADP (adenosine diphosphate), 382

Adsorption, 423

of cumene, 441-447

in CVD, 469-471

dissociative, 282, 432-435, 470-471

equilibrium constant, 432

isotherms, 430-435

rate constant, 432

in toluene hydrodemethylation, 460-461

Aerobic organism growth, 383

Aerosol reactors, 247-248, 250

Affinity constant in Michaelis-Menten equation, 365

Aging in catalyst deactivation, 477-480

Aiba, S., 387

Air pollution, 29

Alcohol dehydrogenase (ADH), 375

Alcohol metabolism, 747

Algae as alternative energy source, 416-417

Algorithms

complex reactions, 319

CRE problems, 150

data analysis, 256-257

ethylene glycol production, 158

vs. memorizing, 148

multiple reactions, 297-299

Aliphatic alcohol, 357-358

Alkenes, ozone reactions with, 290

Alpha order reactions, 75

Alternative energy, 416-417

Alumina-silica catalyst, 505

Amino acids

in chymotrypsin enzyme, 360

synthesis, 382

Ammonia

from hydrogen and nitrogen, 440

nitroaniline from, 672-678

from urea, 371-372

Ammonolysis, 236

Amylase, 360

Analytical solution for pressure drop, 182, 185-197

Anthracene dimerization, 109

Antibiotics, 381, 385

Antifreeze

from ethylene glycol, 165

from ethylene oxide, 194

Antithrombin, 318

Ants running speed, 106

Apparent order in active intermediates, 354

Apparent reactions

in azomethane decomposition, 354

in kinetic rate law, 79-80

Aqueous bromine, photochemical decay of,290

ARA (attainable region analysis),337

Area balance in CVD, 471

Arrhenius, Svante, 85

Arrhenius equation

Arrhenius plots, 92-95

catalyst deactivation, 486-487

sintering, 478

temperature behavior of reaction rate constants, 85

Arrhenius temperature dependence, 372

Arterial blood in capillaries, 288

Artificial kidneys, 361-362

-ase suffix, 360

Aspen program, 197

acetic anhydride production, 592

explanation of, 737-738

instructions for, 721

isomerization of benzene, 534

Aspirin, 373

Atoms in reactions, 72

ATP (adenosine triphosphate), 382

Attainable region analysis (ARA), 337

Autocatalytic reactions, 383

Automobile emissions

nitrogen oxides, 290-291, 507-509

in smog formation, 29

Axial variations in tubular reactors, 624

energy balance, 626-631

energy flux, 626-627

molar flux, 625-626

Azomethane decomposition, 352-354

B

Backmix reactors. See Continuous-stirred tank reactors (CSTRs)

Bacteria, 380-381. See also Cells

in batch reactors, 395-398

in cell growth, 383-384, 386

in enzyme production, 361

Bailey, J. E., 383

Balance on A in semibatch reactors, 239

Balance on heat transfer fluid in tubular reactors, 569-571

Balance on hydrogen in membrane reactors, 229, 232

Bartholomew, C. H., 481, 483-484

Basis of calculation in conversions, 34

Batch reactors

adiabatic operation, 665-671

bacteria growth in, 395-398

bioreactors, 394

catalyst decay, 478-479

concentration equations, 115-117

cylindrical, 145

data analysis methods, 258-259

differential, 263-270

integral, 259-263

nonlinear regression, 271-276

design equations, 34-36, 99

energy balance, 522, 664-671

enzymatic reaction calculations, 370-372

interrupted isothermal operation, 672-678

isothermal design, 152-159

mole balances on, 10-12

in design equations, 35

gas phase, 220-222

integral data analysis, 260

liquid phase, 218, 220

series reactions in, 309-313

space time in, 61

stoichiometry in, 113-119

Beetles, 106

Benzene

adsorption of, 446

from cumene, 5

cyclohexane in production of, 421

desorption of, 443, 449-450

in Langmuir-Hinshelwood kinetics, 441-442

in reversible reactions, 82-84

from toluene, 81, 457-467

Benzene diazonium chloride, 93

Berra, Yogi

on observation, 255

on questions, 27

Berzelius, J., 420

Best estimates of parameter values in nonlinear regression, 273

Beta order reactions, 75

Bifurcation problems, 638

Bimolecular reactions, 72

Biochar gasification, 347

Bioconversions, 381

Biomass reactions

in biosynthesis, 380-381

in reaction rate law, 78

Bioprocessing design problem, 746

Bioreactors, 380-383

cell growth in, 383-385

chemostats, 399-402

CRE web site material, 404-407

mass balances in, 394-398

questions and problems, 407-417

rate laws in, 385-388

stoichiometry in, 388-394

summary, 403-404

supplementary reading, 417-418

wash-out in, 400-402

Biosynthesis, 380-382

Blanch, H. W., 383

Blindness from methanol, 375

Blood coagulation, 317-318, 339

Blood flows in capillaries, 288

Boltzmann’s constant, 723

Bomb calorimeter reactors, 36

Bond distortions in reaction systems,88-89

Bonding for enzyme-substrate complex, 360

Boundary conditions

diffusion, 428-430

tubular reactors, 629

Briggs-Haldane Equation, 370

Bromine cyanide in methyl bromide production, 240-242

Bulk catalyst density

packed bed flow, 180

pressure drop, 188

Butadiene from ethanol, 295

Butane

butene from, 231

isomerization of, 57-60, 534-541, 576-583

Butanol dehydration, 505

Butene from butane, 231

Butt, J. B, 455

C

Cajun seafood gumbo, 746-747

Calculations

enzymatic reactions, 370-372

propylene glycol production, 598

Calorimeters, 36

Capillaries, arterial blood in, 288

Carbon dioxide from urea, 371-372

Carbon monoxide

adsorption, 432-435

methane from, 278-283

surface-limited reactions, 440

Carbonylation reactions in MCMT production, 695

Catalysts and catalytic reactors, 419

adsorption isotherms, 430-435

benzene rate-limiting, 449-450

catalysis, 420-421

classification, 424-425

computer simulations, 502-504

CRE web site material, 500-501

deactivation. See Deactivation of catalysts

definitions, 420-421

desorption, 438

for differential reactors, 276-278

diffusion in

from bulk to external transport, 428-430

internal, 429-430

in ethylene oxide production, 200

heterogeneous data analysis for, 457

mechanisms, 459-461

rate laws, 457-459

reactor design, 463-467

in heterogeneous reactions, 81

interactive computer game, 504

membrane reactors, 227-229

in microelectronic fabrication

chemical vapor deposition in, 469-472

overview, 467-469

model discrimination in, 472-475

properties of, 421-422

questions and problems, 502-514

rate data, 278-283

rate laws, 441-444

deducing, 457-459

derived from PSSH, 456

evaluating, 461-463

temperature dependence of, 456-457

rate-limiting, 439-441, 447-450

reforming, 452-455

steps, 425-440

summary, 497-499

supplementary reading, 514

surface reaction, 436-438

weight

ethylene oxide, 194

heterogeneous reactions, 7

membrane reactors, 229

PBR, 39, 180

with pressure drop, 186-190

Catalytic dehydration of methanol, 505-507

CCPS (Center for Chemical Process Safety), 633

Cells

growth and division

chemostats for, 399-402

and dilution rate, 399-400

growth, 383-385

Luedeking-Piret equation, 391

mass balances, 394-398

rate laws, 385-388, 390

stoichiometry, 388-394

wash-out, 400-402

reactions in, 380-382

Center for Chemical Process Safety (CCPS), 633

Centers in catalysts, 424

Cerius program, 351

Certificate programs, 634

CFBs (circulating fluidized beds), 492-496

Chain reactions, 359

Chain transfer step, 359

Channels in microreactors, 222

Characteristic reaction times in batch operation, 155

Chemical reaction engineering (CRE), 1-3

Chemical species, 4-5

Chemical vapor deposition (CVD), 469-472

Chemisorption, 423-424, 430

Chemostats, 398-399

Chesterton, G. K., 419

Chirping frequency of crickets, 106

Chloral in DDT, 6

Chlorination

membrane reactors, 327

semibatch reactors, 236

Chlorobenzene

from benzene diazonium chloride, 93

in DDT, 6

Chymotrypsin enzyme, 360-361

Circulating fluidized beds (CFBs), 492-496

Clark, D. S., 383

Classes of cell reactions, 382

Clinoptilolite in toluene

hydrodemethylation,457-461

Closed systems, first law of thermodynamics for, 517

Clotting of blood, 317-318, 339

CMRs (catalytic membrane reactors), 227-228

Co-current flow

acetic anhydride production, 589-590

butane isomerization, 578-579

PFR complex reactions with heat effects, 618-619

tubular reactors, 569-570

Coagulation of blood, 317-318, 339

Cobalt-molybdenum catalyst, 505

Cobra bites, 337

Cocci growth, 383

Coking, catalyst decay, 480-481

Collision rate in adsorption, 432

Collision theory, 76

active intermediates in, 351

professional reference shelf for, 101-102

in reaction systems, 89-92

Combination step

acetic anhydride production, 585

batch operation, 153-154, 310-311

butane isomerization, 536

catalyst decay, 479

CSTRs

with cooling coils, 601

multiple reactions, 615

series reactions, 314

single, 161-167

ethylene glycol production, 158, 167

ethylene oxide production, 195-196

gas-oil catalytic cracking, 491

gas phase, 221

glucose-to-ethanol fermentation, 396

membrane reactors

flow and reaction, 233

in multiple reactions, 330

mole balance design, 219

multiple reactions, 615

nitroaniline production, 674

nitrogen oxide production, 225

nonisothermal reactor design, 516-517

PFR reactor volume, 150-152

pressure drop

isothermal reactor design, 178

tubular reactors, 187

propylene glycol production, 597-598

semibatch reactors, 241

tubular reactors

adiabatic, 533

flow in, 171-172, 175

urea decomposition, 370

Combinations

CSTRs and PFRs in, 55-59

and species identity, 5

Competing reactions, 294

Competitive inhibition, 373-375

Complex reactions, 319

CSTRs, 323-327

description, 294-295

PBRs, 319-322

PFRs with heat effects, 617-624

Compressibility factors in flow systems, 122

Compression of ultrasonic waves, 356-359

Compression ratio and octane number, 452-453

Computer simulations and experiments

catalysts, 502-504

flow reactors with heat exchange, 639-644

isothermal reactors, 207-208

molar flow rates, 249-250

mole balances, 28-30

multiple reactions, 338-339

rate data collection and analysis, 287

rate laws, 104

reaction mechanisms, 407-408

steady-state nonisothermal reactors, 557-558

stoichiometry, 141-142

unsteady-state nonisothermal reactors, 706-709

COMSOL program

explanation of, 736-737

instructions, 721

overview, 631-632

tubular reactors, 624, 629-630

Concentration-time data

batch reactors, 258

nonlinear regression, 273-274

Concentrations and concentration profiles

active site balances, 431

batch reactors, 259-260, 311-312

CSTRs, 13, 315

differential reactors, 276-278

dilution, 401

enzyme, 363-364

flow systems, 120

gas-phase, 121-132

liquid-phase, 120-121

species, 121-123

methane production, 280-281

with pressure drop, 186

rate data analysis, 256-257

semibatch reactors, 242

toluene hydrodemethylation, 460

Confidence limits in nonlinear regression, 273

Configuration in chemical species, 4

Consecutive reactions, 294

Constant heat capacities in enthalpy, 527

Constant-volume batch systems, 116-117, 263

Constant-volume decomposition of dimethyl ether, 289

Constant volumetric flow for differential reactors, 278

Continuous-flow systems, 119-120

in mole balance, 12-23

reactor time, 37

sizing, 40-49

Continuous-stirred tank reactors (CSTRs)

in butane isomerization, 540-541

complex reactions, 323-327

with cooling coils, 600-602

design, 14, 160

design equations, 38, 99

ethylene glycol, 165-170

series, 163-165

single, 160-163

energy balance, 520-522, 592-593, 601-602, 613-616, 682-683

in equilibrium equation, 136-137

ethylene glycol, 156-159

with heat effects, 592-602

heat exchange, 524

for liquid-phase reactions, 12-14

mass balances, 394

mole balances, 38, 218-222

multiple reactions, 613-616

with multiple steady states, 602-609

parallel reactions, 167-168, 303-306

propylene glycol production in, 596-600

in series, 50-52

design, 163-165, 168-169

with PFRs, 55-59

sequencing, 59-60

series reactions, 313-317

sizing, 44-45, 48-49

space time in, 61

for toluene hydrodemethylation, 466-467

unsteady-state operation

energy balance, 521-522

startup, 681-685

Conversion and reactor sizing, 33-34

batch reactors, 34-36

continuous-flow reactors, 40-49

conversion definition, 34

CRE web site material, 66

equilibrium. See Equilibrium conversions

flow reactors, 37-40

interactive computer game, 67

PBRs, 21-23

with pressure drop, 186-188

questions and problems, 67-70

rate laws in, 99-100

reactors in series, 49-60

space time, 60-62

space velocity, 62-63

summary, 64-65

supplementary reading, 70

Conversions

conversion factors for units, 724-725

in multiple reactions, 296-297

Cooking

potatoes, 102

seafood gumbo, 746-747

spaghetti, 206

Coolant balance in tubular reactors, 569-571, 629

Coolant temperature

semibatch reactors, 679-680

steady-state tubular reactors, 570

Cooling coils in CSTRs, 600-602

Coordinates, reaction, 86

Corn starch, 360

Corrosion of high-nickel stainless steel plates, 106-107

Costs in ethylene glycol production, 200-201

Countercurrent flow

acetic anhydride production, 590-592

butane isomerization, 579-581

PFR complex reactions with heat effects, 621

tubular reactors, 571

Cracking in moving-bed reactors, 490-492

CRE (chemical reaction engineering), 1-3

CRE web site material

active intermediates, enzymatic reactions, pharmacokinetic models, and bioreactors, 404-407

catalysts, 500-501

conversion and reactor sizing, 66

flow reactors with heat exchange, 636-638

isothermal reactor design, 204-205

molar flow rates, 247-248

mole balances, 25-27

multiple reactions, 335-337

nonisothermal reactor design steady-state, 555-556

unsteady-state, 704-705

open-ended problems, 745-748

rate data collection and analysis, 285-286

rate laws, 102-103

stoichiometry, 140

Cricket chirping frequency, 106

Crystalline aluminosilicates, 421

Crystals in microelectronic fabrication, 468

CSTRs. See Continuous-stirred tank reactors (CSTRs)

Cumene

adsorption, 441-447

decomposition, 5, 450-451

in Langmuir-Hinshelwood kinetics, 441-442

Cumene rate law, 449-450

CVD (chemical vapor deposition), 469-472

Cyanide as enzyme inhibitor, 372

Cyclobutane, 351

Cyclohexane in benzene production, 421

Cyclohexanol, 508-509

Cylindrical batch reactors, 145

Cytoplasm, 381-382

Czochralski crystallizers, 468

D

Damköhler numbers

in CSTRs parallel, 168

series, 164-165, 168

single, 162-163

in gas-oil catalytic cracking, 492

Darcy’s Law, 329

Data acquisition for differential reactors, 276

Data analysis. See Rate data collection and analysis

DDT (dichlorodiphenyl-trichloroethane) production, 6

Deactivation of catalysts

by coking and fouling, 480-481

empirical decay laws, 484-485

moving-bed reactors, 488-492

overview, 475-476

by poisoning, 482-485

reactors offsetting, 485

by sintering, 477-480

straight-through transport reactors, 492-496

temperature-time trajectories, 486-488

Dean, A. R. C., 387

Death phase in cell growth, 385

Death rate in winemaking, 387

Decay rate laws

catalyst deactivation, 477-480, 484-485

gas-oil catalytic cracking, 491

moving-bed reactors, 489-490

straight-through transport reactors, 495

Decomposition

in active intermediates, 354

in reactions, 5

Dehydration butanol of alumina, 212

Dehydration reactions, 505

Dehydrogenation reactions, 230-231

Denatured enzymes, 360, 372

Deoxygenation of hemoglobin, 288

Deoxyribonucleic acid (DNA) in protein production, 382

Deposition rate laws, 470

Design and design equations

batch reactors, 34-36, 99

CSTRs, 14, 160

design equations for, 38, 99

ethylene glycol, 165-170

series, 163-165

single, 160-163

flow reactors, 37-40

propylene glycol production, 597

toluene hydrodemethylation reactors, 463-466

Desired products

multiple reactions, 295

parallel reactions, 300-306

series reactions, 309-317

Desorption, 434, 438

of benzene, 445, 449-450

in toluene hydrodemethylation, 460-461

Diabetes, 415-416

Diameter of tubes in pressure drop, 194

Dichlorodiphenyl-trichloroethane (DDT) production, 6

Diethanolamine formation, 294

Differential forms and equations

batch reactors, 36, 263-270

Ergun equation, 181

ethylene oxide production, 195

isothermal reactor design, 177

PBRs, 19, 40, 170, 257

PFR mole balance, 15-16

solutions to, 718-719

triphenyl methyl chloride-methanol reaction, 268-270

tubular flow reactor design equations, 39

Differential reactors, rate data collection and analysis in, 276-283

Differentiation, equal-area graphical, 267-268, 716-717

Diffusion

boundary conditions in, 428-430

from bulk to external transport, 428-430

with catalysts, 428-430

internal, 429-430

Digital-age problems, 332-333

Dilution rate

bioreactors, 399-401

chemostats, 399

wash-out, 400

Dimerize propylene, 55

Dimethyl ether (DME)

decomposition, 289-290

from methanol, 505-507

Dimethylamine, 215

Diphenyl in reversible reactions, 82-84

Disappearance of substrate, 365, 395

Disappearance rate, 5-6

Disk rupture in nitroaniline production, 678-679

Dispersion, catalysts, 424

Dissociative adsorption, 282, 432-435, 470-471

Distortions in reaction systems, 88-89

Division of cells, 382-383

DME (dimethyl ether)

decomposition of, 289-290

from methanol, 505-507

DNA (deoxyribonucleic acid) in protein production, 382

Doubling times in growth rates, 387

DP-IV, 415

DPP-IV, 415

Drinking and driving, 340-341

Drug therapy, 373-375

Dual sites

irreversible surface-reaction-limited rate laws in, 455

surface reactions in catalysts, 436-437

E

Eadie-Hofstee plots, 368-370

Economic decisions and incentives for separations systems, 295

Efficient parallel reactor schemes, 300

Electronics industry, microelectronic fabrication

chemical vapor deposition in, 469-472

overview, 467-469

Elementary rate laws, 75-77

Elementary reactions, 76, 432

Eley-Rideal mechanism, 451

irreversible surface-reaction-limited rate laws, 455

in surface reactions in catalysts, 438

in toluene hydrodemethylation, 459-460

Emissions, automobile

nitrogen oxides in, 290-291, 507-509

in smog formation, 29

surface-limited reactions, 440

Empirical decay laws, 484-485

Endothelium in blood clotting, 317

Endothermic reactions

equilibrium conversion in, 541

interstage heat transfer, 547-548

PFR/PBR design algorithm, 583-592

Energy

alternative, 416-417

conversion factors, 724

Energy balances

acetic anhydride production, 585-586

adiabatic operations, 521, 523

batch reactors, 665-671

equilibrium temperature, 544-546

in steady-state nonisothermal design, 531-532

tubular reactors, 533

butane isomerization, 536, 578

CSTRs, 520-522

with cooling coils, 601-602

heat exchanger in, 593

in multiple reactions, 613-616

unsteady-state operation, 682-683

enthalpies in, 519-520, 527-528

ethyl acetate saponification, 687

feed temperature in equilibrium conversion, 551

first law of thermodynamics, 517-518

heat of reaction in, 528-531

MCMT production, 699

nitroaniline production, 674-675

overview of, 520-524

PBRs, 521-522

PFRs, 521-522

with heat effects, 573-574, 618

with heat exchange, 566-569

multiple reactions, 609-624

parallel reactions, 612

propylene glycol production, 598, 668, 682-683

semibatch reactors, 522

with heat exchangers, 680

multiple reactions, 692

steady-state molar flow rates, 525-527

tubular reactors, 566-569, 627-631

unsteady-state nonisothermal reactors, 662-664

work term in, 518-520

Energy barriers, 86-89

Energy distribution function, 90, 92

Energy economy

hydrogen-based, 252

membrane reactors, 230-231

Energy flux, tubular reactors, 626-627

Energy flux vectors, 626

Energy rate change with time, 725

Engine knock, 452-455

Engine oil, 410

Engineering experiment design problem, 745

Entering concentrations in flow reactor design, 37

Enthalpies in energy balance, 519-520, 527-528

Enzymatic reactions, 78, 359-360

batch reactor calculations, 370-372

Briggs-Haldane Equation, 370

CRE web site material, 404-407

Eadie-Hofstee plots, 368-370

enzyme-substrate complex, 360-362

induced fit model, 361

inhibition of. See Inhibition of enzyme reactions

lock-and-key model, 361

mechanisms, 363-364

Michaelis-Menten equation, 364-370

questions and problems, 407-417

summary, 403-404

supplementary reading, 417-418

temperature in, 372

Epidemiology, PSSH for, 411

Epitaxial germanium, 469

Epoxydation of ethylene, 345

Equal-area differentiation, 267-268, 716-717

Equations

batch concentrations, 115-117

concentrations in flow systems, 120

differential. See Differential forms and equations

Equilibrium

in adiabatic equilibrium

temperature, 542-546

in CVD, 471-472

Equilibrium constant

in adiabatic equilibrium temperature, 542-544

adsorption, 432, 443

in thermodynamic relationships, 727-732

Equilibrium conversions, 541

and adiabatic temperature, 541-546

butane isomerization, 537

endothermic reactions, 541

exothermic reactions, 541-546

feed temperature, 550-553

semibatch reactors, 243

stoichiometry, 132-137

Ergun equation, 178-181, 185

Ertl, Gerhard, 421

Esterification reactions, 237

Ethane

from azomethane, 353-354

ethylene from, 505

in ethylene glycol production, 201

ethylene hydrogenation to, 472-475

Ethanol

acetaldehyde from, 316

ADH with, 375

butadiene from, 295

in glucose-to-ethanol fermentation, 395-398

in wine-making, 386-387

Ethoxylation reactions, 327

Ethyl acetate, 215-216

Ethyl acetate saponification, 686-689

Ethylbenzene

hydrogenation to ethylcyclohexane, 514

styrene from, 230-231, 657

Ethylcyclohexane, 514

Ethylene

adsorption of, 423-424

epoxydation of, 345

from ethane, 505

ethane from, 472-475

PBRs for, 173-177

Ethylene chlorohydrin, 252

Ethylene glycol (EG)

CSTRs for, 156-159

from ethylene chlorohydrin and sodium bicarbonate, 252

from ethylene oxide, 194

production of, 165-170

synthesizing chemical plant design for, 199-201

Ethylene oxide (EO), 294

CSTRs for, 156-159

in ethylene glycol production, 200

production of, 194-199

Eukaryotes, doubling times for, 387

Evaluation

batch operations, 153-154, 312-313

CSTR series reactions, 315-316

ethylene glycol production, 158, 167

gas phase, 221

nitrogen oxide production, 225

PFR reactor volume, 150-151

propylene glycol production, 681-685

semibatch reactors, 241

toluene hydrodemethylation, 465-466

triphenyl methyl chloride-methanol reaction, 266

tubular reactor design, 175-176

tubular reactor flow, 171-172

Excel

activation energy, 93-94

explanation of, 736

trityl-methanol reaction, 262-263

Excess method in batch reactors, 258

Exhaust streams, automobile

nitrogen oxides in, 290-291, 507-509

in smog formation, 29

surface-limited reactions, 440

Exit points in CSTRs, 13

Exit temperature in interstage cooling, 548

Exothermic reactions, 530

equilibrium conversion, 541-546

interstage heat transfer, 546-559

safety issues, 632-634, 672-678

Experimental observation and measurements, 8, 77

Experimental planning

professional reference shelf for, 286

in rate data collection and analysis, 283

Explosions

Monsanto plant, 672-678

nitrous oxide plant, 645, 709-710

T2 Laboratories, 632-633, 694-702

Explosive intermediates, microreactors for, 222

Exponential cell growth, 385, 388

Exponential decay rate law in catalyst deactivation, 485

External diffusion effects. See Diffusion

Extinction temperature in multiple steady states, 607

Eyes, blindness from methanol, 375

F

Fabrication, microelectronic

chemical vapor deposition in, 469-472

overview, 467-469

Fanning friction factor, 183

Farrauto, R. J., 483-484

Fast orange formation, 143-144

Fed batch reactors. See Semibatch reactors

Feed stocks, catalyst poisoning in, 482-483

Feed temperature in equilibrium conversion, 550-553

Femtosecond spectroscopy, 351

Fermentation

glucose-to-ethanol, 395-398

wine-making, 386-387

Fermi, Enrico, 31

Fibers, terephthalic acid for, 343

Fibrin, 317 Fibrinogen, 317

Find Your Rhyme, 222

Firefly flashing frequency, 106

First law of thermodynamics, 517-518

First-order dependence in CFRs, 40

First-order rate laws, 77, 354-355

First-order reactions, 76

batch operations, 154

CSTR design

series, 163-164

single, 160-161

differential equations for, 718-719

multiple steady states, 605

PFR reactor volume for, 150-152

reversible, 541

Five-point quadrature formula

in PFR sizing, 46

solutions, 720-721

Fixed-bed reactors. See Packed-bed reactors (PBRs)

Flame retardants, 409

Flashing frequency of fireflies, 106

Flow

in energy balance, 518-519

through packed beds, 178-182

in pipes, 182-185

Flow rates

membrane reactors, 329, 331

multiple reactions, 296

space time, 61

Flow reactors, 119-120. See also specific flow reactors by name

concentrations in, 120

gas-phase, 121-132

liquid-phase, 120-121

design equations, 37-40

CSTR, 38

PBRs, 39-40

tubular, 38-39

with heat exchange, 565-566

balance on transfer fluid, 569-571

computer simulations and experiments, 639-644

CRE web site material, 636-638

CSTRs, 592-602

interactive computer games, 644

multiple steady states, 602-609

nonisothermal reactions, 609-624

PFR/PBR design algorithm, 572-592

questions and problems, 639-659

radial and axial variations in tubular reactors, 624-630

safety, 632-634

steady-state tubular reactors, 566-569

summary, 635-636

supplementary reading, 659

with variable volumetric flow rate, 121-132

Fluidized-bed reactors, 81

Fluidized continuous-stirred tank reactors, 466-467

Force, conversion factors for, 724

Formaldehyde

from methanol, 375

oxidation of, 344-345

Formate from methanol, 375

Formation enthalpies, 527-528

Formation rates in azomethane decomposition, 353

Fouling in catalyst decay, 480-481

Four-point rule in integral evaluation, 720

Fraction of collisions, 90-91

Fractional area balance in CVD, 471

Free radicals

as active intermediates, 351

in bimolecular reactions, 72

Frequency factors in activation energy, 93

Freundlich isotherms, 435

Friction factor in pipe pressure drop, 183

Fuel cells, 252

Furusawa, T., 596

G

Gallium arsenide layers, 469

Gas-hourly space velocity, 63

Gas oil, catalytic cracking of, 490-492

Gas phase and gas-phase reactions

adiabatic exothermic irreversible, 69

batch systems, 36, 152

complex reactions with heat effects in PFRs, 618-619

in CVD, 470

elementary and reversible, 82

equilibrium constant, 727-729

flow reactors, 37-38

flow reactors with variable volumetric flow rate, 121-132

liquid-phase concentrations, 120-121

microreactors, 223-227

mole balances on, 220-222

packed beds, 148

PBRs, 319-322

PFR reactor volume, 150-152

pressure drop in, 177-178

tubular reactors, 14, 170-173, 568-569

Gas-solid heterogeneous reactions, 256

Gas volumetric flow rate in space velocity, 63

Gasoline, 452-453

catalyst poisoning, 482

octane number, 547

Gaussian program, 351

General mole balance equation, 8-10

CSTRs, 13

tubular reactors, 15

Generation heat in multiple steady states, 604-606

Generic power-law rate laws in gas phase, 220

Germanium epitaxial film, 469

GHSV space velocity, 63

Gibbs free energy

in cumene adsorption, 446

in equilibrium constant, 729

Glow sticks, 359

GLP-1, 415

Glucose in wine-making, 386-387 Glucose-to-ethanol fermentation, 395-398

Goodness of fit in rate data analysis, 257

Gradientless differential reactors, 277

Graphical methods

batch reactor data analysis, 264

yequal-area differentiation, 716-717

triphenyl methyl chloride-methanol reaction, 267-268

Gravitational conversion factor, 725

Greek symbols, 743

Growth of microorganisms. See Bioreactors

Gumbo, 746-747

H

Hanes-Woolf model

for Michaelis-Menten equation, 368-370

of Monod equation, 393 Heat capacities in enthalpy, 527

Heat effects. See also Temperature

CSTRs with, 592-602

in semibatch reactors, 686-689

in steady-state nonisothermal

reactors. See Steady-state

nonisothermal reactors

Heat exchange and exchangers acetic anhydride production, 587-591

adiabatic operations, 670-672

CSTRs, 524

energy balance, 593

interstage cooling, 548

microreactors, 222

propylene glycol production, 667

semibatch reactors, 679-689

steady-state nonisothermal reactors. See Flow reactors

tubular reactors, 569

Heat load in interstage cooling, 549

Heat of reactions

in energy balance, 528-531

molar flow rates for, 525-527

Heat terms in multiple steady states, 603-606

Heat transfer

to CSTRs, 593

in octane number, 547

in pressure drop, 194

in tubular reactors, 569-571

Height, energy barrier, 87

Hemoglobin, deoxygenation of, 288

Hemostasis process, 317

Heptane, 452-453

Heterogeneous catalytic processes

in methane production, 281

phases in, 421

Heterogeneous data analysis, 457

mechanisms, 459-461

rate laws, 457-459

reactor design, 457-467

Heterogeneous reactions, 7, 72, 81-82

data for, 256

external diffusion effects on. See Diffusion

High-fructose corn syrup (HFCS), 360

High-nickel stainless steel plates, 106-107

High temperature in multiple steady states, 605

Holding time in space time, 61

Homogeneous reactions, 72, 78-79

data for, 256

rate law parameters for, 258

Honeybee flight speed, 106

Hot spots

in microreactors, 222

parallel reactions, 306

Hougen, O. A., 439

Humphrey, A. E., 387

Hydrocarbons, partial oxidation of, 327

Hydrocracking, temperature-time trajectories, 487-488

Hydrodemethylation of toluene, 81-82, 457-467

Hydrodesulfurization reactor design problem, 746

Hydrogen

ammonia from, 440

dissociative adsorption of, 470-471

in enzyme-substrate complex, 361

in membrane reactors, 229

in methane production, 278-283

in reversible reactions, 82-84

from water-gas shift reaction, 730-732

water splitting, 509-510

Hydrogen-based energy economy, 252

Hydrogen peroxide

decomposition, 411

sodium thiosulfate reaction, 602

Hydrogenation reactions

of ethylene to ethane, 472-475

membrane reactors for, 327

Hydrolases enzymes, 361

Hydrolysis

semibatch reactor operation, 236

starch, 413

Hydrophobic forces for

enzyme-substrate complex, 361

Hyperbolic decay rate law, 485

I

Ideal gas constant, 723

Ideal gas law, 37

Identity

In chemical species, 4

in reactions, 5

Ignition-extinction curves, 606-609

Ignition temperature

in equilibrium conversion, 552-553

in multiple steady states, 607

IMRCFs (inert membrane reactors with catalyst pellets on the feed side), 227-228

Independent reactions, 294-295, 609

Induced fit model for enzyme-substrate complex, 361

Industrial reactors

dimerize propylene into olefins, 55

in mole balance, 23-24

space time in, 61-62

Industrial-waste reaction, 214-215

Inert membrane reactors with catalyst pellets on the feed side (IMRCFs), 227-228

Inhibition of enzyme reactions, 372-373

competitive, 373-375

noncompetitive, 377-379

substrate, 379-380

uncompetitive, 376-377

Inhibitor molecules, 377

Inhibitors, 372-373

Initial conditions in tubular reactors, 629

Initial rates for differential reactors, 276

Initiation step in chain reactions, 359

Inlet conditions

differential reactors, 278

equilibrium conversion, 552

Instantaneous selectivity

multiple reactions, 295

parallel reactions, 300, 305

semibatch reactors, 237

Instantaneous yield in multiple reactions, 296

Insulin production, 381

Integral data analysis method, 259-263

Integral reactors, 19, 39

Integrals

numerical evaluation of, 719-720

in reactor design, 715-716

Integrated circuit fabrication CVD in, 469-472

overview, 467-469

Interactive Computer Game (ICG) catalysts, 504

conversion and reactor sizing, 67

flow reactors with heat exchange, 644

isothermal reactors, 208

molar flow rates, 250, 525

mole balances, 30

multiple reactions, 339

rate data collection, 287-288

reaction mechanisms, 408-409

stoichiometry, 142

Interfacial area for catalytic reactions, 421

Intermediates, active. See Active intermediates

Internal diffusion, 429-430

Interrupted isothermal operations, 672-678

Interstage heating and heat transfer

reactor staging with, 546-550

reactor trains with, 562

Iocane powder, 211

Ionic forces for enzyme-substrate complex, 361

Irreversible reactions, 72

endothermic, 560

exothermic, 69

isomerization, 456

order in, 258

Irreversible surface-reaction-limited rate laws, 455

Iso-octane, 452-455

Isobutane production, 534-541, 576-583

Isomerases enzymes, 361

Isomerization

batch reactors, 11-12

butane, 57-60, 534-541, 576-583

irreversible, 456

isothermal gas-phase, 41

in reactions, 5

Isopropyl isocyanate decomposition, 291

Isotherm equation in adsorption, 435

Isothermal operations flow reactors, 127

gas-phase isomerization, 41

interrupted, 672-678

nitroaniline production, 675

sulfur dioxide gas-phase reactions, 127

sulfur dioxide rate law, 130

Isothermal reactors, 147

batch, 152-159

CRE web site material, 204-205

CSTRs, 160

design equations, 100

ethylene glycol, 165-170

series, 163-165

single, 160-163

interactive computer games, 208

learning resources for, 204-205

molar flow rates. See Molar flow rates

ODE solver algorithm, 203-204

pressure drop, 177

analytical solution, 185-197

flow through packed beds, 178-182

pipes, 182-185

rate law, 177-178

questions and problems, 206-216

structure for, 148-152

summary, 202-203

supplementary reading, 216

synthesizing chemical plant design, 199-201

tubular reactors, 170-176

Isotherms, adsorption, 430-435

J

Januvia, 373, 415

Jeffreys, G. V., 584

Johnson, Samuel, 349

K

Kargi, F., 382-383

Karpus, Martin, 95-96

Kidneys, artificial, 361-362

Kind in chemical species, 4

Kinetic Challenge module, 142

Kinetic energy in energy balance, 519

Kinetic rate law, 74, 79-80

Kinetics in catalyst deactivation, 475, 484

Köttlov, Sven, 388

L

Labs-on-a-chip, 222

LaCourse, W. C., 361, 368

Lag phase in cell growth, 385

Langmuir, Irving, 433

Langmuir-Hinshelwood kinetics

in catalyst surface reactions, 438

for heterogeneous reactions, 81, 256

nonlinear regression for, 271

in rate limiting, 439

steps, 441-442

Langmuir isotherm, 433-435

Large molecules, synthesis of, 382

Law of mass action, 74

Le Châtelier’s principle, 729

Lead in gasoline, 482

Learning resources

active intermediates, enzymatic reactions, pharmacokinetic models, and bioreactors, 404-405

catalysts, 500-501

conversion and reactor sizing, 66

flow reactors with heat exchange, 636-637

isothermal reactor design, 204-205

molar flow rates, 247

mole balances, 25-26

multiple reactions, 335-336

nonisothermal reactor design

steady-state, 555

unsteady-state, 704

rate data collection and analysis, 285-286

rate laws, 102

stoichiometry, 140

Least-squares analysis

batch reactors, 271

multiple reaction analysis, 332

professional reference shelf for, 286

LeBlanc, Steve, 661

Length, conversion factors for, 724

Levenspiel plots

adiabatic isomerization, 59

butane isomerization, 539

flow reactors, 43-44, 136-137

PFRs in series, 54

Levine, N., 361, 368

LHSV space velocity, 63

Ligases enzymes, 361

Light from ultrasonic waves, 356-359

Limiting reactants

in batch systems, 118-119

in conversion, 34

Lindermann, F. A., 351

Linear decay rate law in catalyst deactivation, 485

Linear least squares, 271

Linear plots in batch reactor data analysis, 259-261

Lineweaver-Burk plots

for inhibition

competitive, 375

noncompetitive, 378-379

uncompetitive, 377

for Michaelis-Menten equation,367-368

Liquid-hourly space velocity, 63

Liquid phase and liquid-phase reactions

batch systems, 36, 116-117, 152

butane isomerization, 57-60, 534-541

complex reactions, 323-327

concentrations, 120-121

CSTRs for, 12-14, 323-327

flow reactors, 37, 120-121

MCMT production, 694

methanol-triphenyl reaction, 288-289

mole balances, 218, 220

pressure drop, 177

selectivity in, 237

semibatch reactors, 325-327

tubular reactors, 171, 569

Living example problems

active intermediates, enzymatic reactions, pharmacokinetic models, and bioreactors, 405

catalysts, 501

flow reactors with heat exchange, 637

isothermal reactors, 205

molar flow rates, 247

multiple reactions, 336

nonisothermal reactors

steady-state, 555

unsteady-state, 704

rate data collection and analysis, 286

Locally stable steady-state values, 608

Lock-and-key model, 361

Log-log paper

batch reactor analysis, 263

triphenyl methyl chloride-methanol reaction, 268

Logic vs. memorizing, 148, 150

Logistic growth law, 414

London van der Waals forces, 360

Los Angeles basin, 29

Low temperature in multiple steady states, 605

Lubricant design problem, 745

Luedeking-Piret equation, 391

Luminescence from ultrasonic waves, 356-359

Lyases enzymes, 361

M

Maintenance in cell growth, 389

Marx, Groucho, 147

Mass, conversion factors for, 724

Mass balances. See also Mole balances

in cell growth, 394398

in glucose-to-ethanol fermentation,395– 398

Mass flow rate through packed beds, 179

Mass transfers in microreactors, 222

Material Safety Data Sheets (MSDS), 170

MATLAB program

adiabatic tubular reactors, 532

ethylene oxide production, 197

explanation of, 735736

instructions, 721

isothermal reactors, 203204

membrane reactors, 233234

molecular simulations, 9596

non-adiabatic PFR energy balance,524

nonlinear regression, 274

Maxwell-Boltzmann distribution, 8992

MCMT (methylcyclopentadienyl manganese tricarbonyl)production, 694702

Mean residence time in space time, 61

Measured variables

in rate data analysis, 256

in triphenyl methyl

chloride-methanol reaction,266

Mechanism searches, 355359

Medical applications. SeePharmacokinetics

MEK (methyl ethyl ketone) production,508

Membrane reactors

design, 227235

mole balances, 218219

for multiple reactions, 327331

packed bed, 180

Memorization vs. logic, 148, 150

Metabolism of alcohol, 747

Metaxylene isomerization, 213

Methane

from carbon monoxide and hydrogen, 278283

para-xylene from, 421

from toluene, 81, 457467

Methanol

ADH with, 375

dimethyl ether from, 505507

poisoning by, 375, 748

synthesis problem, 746

in triphenyl methyl chloride reaction, 266270

in trityl-methanol reaction, 261263

Methyl amine, 215, 240243

Methyl bromide production, 240243

Methyl ethyl ketone (MEK) production,508

Methylcyclohexane, toluene from, 511

Methylcyclopentadienyl manganese

tricarbonyl (MCMT) production,694– 702

Michaelis constant, 364366, 375

Michaelis-Menten kinetics and equations, 350

in competitive inhibition, 373

in enzymatic reactions, 364370

substrate concentration in, 371

in uncompetitive inhibition,376– 377

Microbial growth. See Bioreactors

Microelectronic fabrication

chemical vapor deposition in,469– 472

overview, 467469

Microorganism growth. See Bioreactors

Microreactors

molar flow rate algorithm, 222227

for phosgene, 213214

Mild reaction conditions in bioconversions, 381

Millis, N. F., 387

Mixed inhibition, 377379

Mixers in microreactors, 222

Miyauchi, T., 596

Model discrimination in catalysts,472– 475

Molar feed rate in flow reactors, 37

Molar flow rates, 120, 217

balance equation, 218

computer simulations and experiments, 249250

CRE web site material, 247248

CSTRs, 14

ethylene glycol production, 200

flow reactors, 37, 121123, 134135

gas phase, 220

heat of reaction, 525527

interactive computer games, 250

learning resources, 247

membrane reactors, 227235, 329

microreactors, 222227

mole balances, 218222

multiple reactions, 296, 329, 331

ODE solver algorithm, 246

PFR/PBR with heat effects, 573574

PFRs, 1617

questions and problems, 248253

semibatch reactors, 237243

summary, 244245

supplementary reading, 254

unsteady-state operation of stirred reactors, 236

Molar flux in tubular reactors, 625626

Mole balances, 14

acetic anhydride production,584– 585

adiabatic equilibrium temperature,543

batch reactors, 1012, 152154

in design equations, 35

enzymatic reactions, 370

integral data analysis, 260

series reactions, 310311

butane isomerization, 535, 577

catalyst decay, 478

CFRs, 1223

computer simulations and experiments, 2830

CRE web site material, 2527

CSTRs, 38

with cooling coils, 601

in design, 160, 164

liquid phase, 323324

multiple reactions, 614

series reactions, 51, 314315

unsteady-state operation, 682

ethyl acetate saponification, 687

ethylene glycol production, 156157, 166

feed temperature in equilibrium conversion, 551

gas-oil catalytic cracking, 490

gas phase, 220222, 319320

general mole balance equation, 810

industrial reactors, 2324

interactive computer games, 30

isothermal reactors, 177, 219

learning resources for, 2526

liquid phase, 218, 220, 323325

MCMT production, 697698

membrane reactors, 229, 231232, 329

moving-bed reactors, 489

multiple reactions, 297299, 329, 614, 691

nitroaniline production, 674

nitrogen oxide production, 224

nonisothermal reactor design

steady-state, 516

unsteady-state, 663

parallel reactions, 304, 611

PBRs, 1819, 218222, 319320

PFRs

complex reactions, 618

first-order gas-phase reaction, 150151

with heat effects, 572573, 611

pressure drop, 177, 186

professional reference shelf for, 2627

propylene glycol production, 597, 667, 682

questions and problems, 2732

rate data analysis, 256

reaction rate, 48

semibatch reactors, 238, 240, 325, 691

straight-through transport reactors, 493494

summary, 2425

supplementary reading, 32

toluene hydrodemethylation, 466

triphenyl methyl chloride-methanol reaction, 266

tubular reactors, 39, 625626

adiabatic, 533534

design, 174

with heat exchange, 568

Molecular adsorption, 432435

Molecular dynamics, 103

Molecular sieves, 421

Molecular simulations

historical perspective, 9596

stochastic modeling, 9699

Molecularity of reactions, 72

Moles

in batch systems, 113115

in reactors in series, 49

Monod equation, 350

bioreactors, 380381, 399

for exponential growth, 385387

Hanes-Woolf form, 392393

Monoethanolamine formation, 294

Monolithic catalysts, 421

Monsanto plant accident, 672678

Moser growth law, 387

MOSFET devices, 468

Motor oil, 410

Moving-bed reactors, catalyst

deactivation in, 488492

MSDS (Material Safety Data Sheets), 170

Multiple reactions, 293

algorithms, 297299

analysis for, 332

complex. See Complex reactions

computer simulations and experiments, 338339

CRE web site material, 335337

CSTRs, 313317, 613616

for digital-age problems, 332333

interactive computer games, 339

membrane reactors for, 327331

nonisothermal, 609

energy balance in, 609624

unsteady-state, 690702

packed bed flow, 180

parallel. See Parallel reactions

PBRs, 319322

PFRs, 522, 609610

questions and problems, 337347

series, 294

batch reactors, 309313

in blood clotting, 317318

CSTR, 313317

summary, 333335

supplementary reading for, 347

types, 294296

Multiple regression techniques, 462463

Multiple steady states, 602603

heat of generation in, 604606

heat-removed terms, 603606

ignition-extinction curves, 606609

Multiple substrate systems, 406

Multiplication, cell, 383

Mystery Theater module, 208

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