Index
A
Accumulation in bioreactors, 382
Acetaldehyde
decomposition of, 334
from ethanol, 301
pyrolysis of, 390
Acetic anhydride
cytidine reaction with, 817–820
co-current heat exchange, 561–563
constant heat exchange fluid temperature, 559–560
countercurrent heat exchange, 562–563
Acetylation reactions, 226
Activation energies
barrier height, 86
in rate laws, 76
and reaction coordinates, 84
chain reactions in, 343
mechanism searches in, 339–342
Active sites
in enzymes, 344
Actual rate of reaction in internal effectiveness factor, 731, 733
Adenosine diphosphate (ADP), 366, 760
Adenosine triphosphate (ATP), 366, 760
ADH (alcohol dehydrogenase), 359
acetic anhydride production, 558–559
butane isomerization, 55–58, 554–555
complex reactions with heat effects, 594–595
equilibrium temperature, 521–522
steady-state nonisothermal design, 508–509
tubular reactors, 510
exothermic irreversible gas-phase reactions, 67
interstage heat transfer, 522–526
nitroaniline production, 643–644
propylene glycol production in, 568–572, 634–639
temperature and equilibrium conversion, 518–522
Adjustable parameters for nonideal reactors, 846–847
Adsorption, 403
dissociative, 270, 412–415, 450
equilibrium constant, 412
rate constant, 412
in toluene hydrodemethylation, 439–440
Aerobic organism growth, 367
Affinity constant in Michaelis–Menten equation, 348
Aging in catalyst deactivation, 456–459
Alcohol dehydrogenase (ADH), 359
Alcohol metabolism, 927
Algae as alternative energy source, 396–397
Algorithms
complex reactions, 304
CRE problems, 142
ethylene glycol production, 150
vs. memorizing, 140
Aliphatic alcohol, 341
Alkenes, ozone reactions with, 277
Alumina-silica catalyst, 483–484
Amino acids
in chymotrypsin enzyme, 344
synthesis, 366
Ammonia
from hydrogen and nitrogen, 420
Ammonolysis, 226
Analytical solution for pressure drop, 174, 177–188
Anthracene dimerisation, 103
Antifreeze
from ethylene glycol, 157
from ethylene oxide, 185
Antithrombin, 303
Ants running speed, 100
Apparent order in active intermediates, 338
Apparent reactions
in azomethane decomposition, 338
in falsified kinetics, 737–738
Approximations in segregation model, 815
Aqueous bromine, photochemical decay of, 276–277
Area balance in CVD, 449
Aris–Taylor analysis for laminar flow, 870–871
Aris–Taylor dispersion
dispersion model, 852
Arrhenius, Svante, 83
Arrhenius equation
sintering, 456
temperature behavior of reaction rate constants, 83–84
Arrhenius temperature dependence, 356
Arterial blood in capillaries, 275
Artificial kidneys, 346
Aspen program, 188
acetic anhydride production, 563
explanation of, 916
instructions for, 903
Asymmetric distribution
maximum mixedness model, 834
segregation model, 833
Atoms
in diffusion, 681
in reactions, 70
Attainable region analysis (ARA), 320–321
Autocatalytic reactions, 367
Automobile emissions
Average molar flux in diffusion, 690
Axial concentration profiles, 871
Axial diffusion, 698
Axial dispersion
dispersion model, 852
Axial variations in tubular reactors, 595–596
Azomethane decomposition, 336–338
B
Back-of-the-envelope calculations, 705
Backmix reactors. See Continuous-stirred tank reactors (CSTRs)
Bacteria, 364–365. See also Cells
in enzyme production, 344
Balance dispersion, 854
Balance on heat transfer fluid in tubular reactors, 543–545
Balance on hydrogen in membrane reactors, 219, 222
Balance on reactor volume in CSTR parameter modeling, 876
Basis of calculation in conversions, 32
Batch reactors
bioreactors, 377
concentration equations, 109–111
cylindrical, 137
data analysis methods, 246–247
enzymatic reaction calculations, 354–356
interrupted isothermal operation, 640–646
in design equations, 33
integral data analysis, 248
space time in, 59
Bed fluidicity in hydrazine decomposition, 704
Beetles, 100
Benzene
adsorption of, 426
from cumene, 5
from cyclohexane, 714
in Langmuir–Hinshelwood kinetics, 421–422
in reversible reactions, 80–82
Berra, Yogi
on destinations, 680
on observation, 243
on questions, 26
on termination, 679
Berzelius, J., 400
Best estimates of parameter values in nonlinear regression, 261
Bifurcation problems, 609
Bimodal distributions, 833
Bimolecular reactions, 70
Biochar gasification, 331
Bioconversions, 365
Biomass reactions
in reaction rate law, 76
Bioprocessing design problem, 926
Blindness from methanol, 359
Blood coagulation, 302–303, 323
Bodenstein number
dispersion and T-I-S models, 869
tubular reactors, 855
Boltzmann’s constant, 905
Bomb calorimeter reactors, 34
Bond distortions in reaction systems, 86–87
Bonding for enzyme-substrate complex, 344
Boundary conditions
diffusion, 408–409, 685–688, 690, 726, 728
dispersion coefficient determination, 863–866
dispersion models, 918
mass transfer to single particles, 695, 697
maximum mixedness model, 823–824
spherical catalyst pellets, 726, 728
tubular reactors, 600, 855–858
Bounded conversions in nonideal reactors, 846
Briggs–Haldane Equation, 354
Bromine cyanide in methyl bromide production, 230–232
packed bed flow, 172
pressure drop, 180
Bulk concentration
diffusion and reaction, 742
mass transfer to single particles, 695
Bulk diffusivity, 721
Bulk phase, diffusion in, 686–687
Butadiene from ethanol, 281
Butane
butene from, 221
isomerization of, 55–56, 512–518, 548–555
Butyl alcohol (TBA), 482
Bypassing
in CSTRs, 795–796, 871–873, 880–882
C
C curves
pulse input experiment, 770–776
single-CSTR RTDs, 785
Calculations
back-of-the-envelope, 705
propylene glycol production, 570
Calorimeters, 34
Carbon dioxide from urea, 355–356
Carbon monoxide
Carbonylation reactions in MCMT production, 661
Cartilage forming cells, 763–765
Catalysts and catalytic reactors, 399
benzene rate-limiting, 429–430
CRE Web site material, 480–481
deactivation. See Deactivation of catalysts
desorption, 418
for differential reactors, 264–265
diffusion in
from bulk to external transport, 408–409
differential equation for, 723–725, 729–730
effective diffusivity in, 721–723
for tissue engineering, 763–765
in ethylene oxide production, 191
heterogeneous data analysis for, 436–437
in heterogeneous reactions, 79
in microelectronic fabrication
chemical vapor deposition in, 448–451
model discrimination in, 451–454
derived from PSSH, 435
temperature dependence of, 436
rate-limiting, 419–420, 427–430
shell balance on, 723
weight
ethylene oxide, 185
heterogeneous reactions, 7
membrane reactors, 219
Catalytic dehydration of methanol, 484–485
Catalytic reactions, isothermal first-order, 730–733
growth and division
and dilution rate, 383
Luedeking–Piret equation, 375
Center for Chemical Process Safety (CCPS), 604
Centers in catalysts, 404
Cerius program, 335
Certificate programs, 605
CFBs (circulating fluidized beds), 472–476
Chain reactions, 343
Chain rule for diffusion and reaction, 726
Chain transfer step, 343
Channels and channeling
microreactors, 212
Characteristic reaction times in batch operation, 147
Chemical reaction engineering (CRE), 1–3
Chemical vapor deposition (CVD)
in diffusion, 753
professional reference shelf for, 757
Chesterton, G. K., 399
Chipmunk respiration rate, 713
Chirping frequency of crickets, 99
Chloral in DDT, 6
Chlorination
membrane reactors, 312
semibatch reactors, 226
Chlorobenzene
from benzene diazonium chloride, 91
in DDT, 6
Churchill, Winston, 895
Circulating fluidized beds (CFBs), 472–476
Classes of cell reactions, 366
Clinoptilolite in toluene hydrodemethylation, 437–446
Closed-closed boundary conditions
dispersion coefficient determination, 863–864
Closed systems, first law of thermodynamics for, 495
Closed vessel dispersion, 855
Clotting of blood, 302–303, 323
CMRs (catalytic membrane reactors), 217–218
Co-current flow
acetic anhydride production, 561–563
PFR complex reactions with heat effects, 590–591
Coagulation of blood, 302–303, 323
Cobalt-molybdenum catalyst, 483
Cobra bites, 322
Cocci growth, 367
Coking, catalyst decay, 459–461
Colburn J factor
hydrazine decomposition, 704
mass transfer correlations, 701
Collision rate in adsorption, 412
Collision theory, 74
active intermediates in, 335
professional reference shelf for, 97
acetic anhydride production, 557
batch operation, 145–146, 295–296
butane isomerization, 513
catalyst decay, 458
CSTRs
with cooling coils, 573
parameter modeling, 876
series reactions, 299
ethylene glycol production, 150, 159
ethylene oxide production, 187
gas-oil catalytic cracking, 470
gas phase, 211
glucose-to-ethanol fermentation, 379
laminar flow reactors mean conversion, 818
membrane reactors
flow and reaction, 223
in multiple reactions, 315
mole balance design, 209
nitroaniline production, 642
nitrogen oxide production, 215
nonisothermal reactor design, 494–495
pressure drop
isothermal reactor design, 170
tubular reactors, 179
propylene glycol production, 569–570, 635–636
semibatch reactors, 230
tubular reactors
adiabatic, 510
urea decomposition, 354
Combinations
and species identity, 5
Competing reactions, 280
Competitive inhibition, 357–359
Complete segregation in nonideal reactor modeling, 809–810
Complex reactions, 304
PFRs with heat effects, 588–595
Compressibility factors in flow systems, 116
Compression of ultrasonic waves, 340–342
Compression ratio and octane number, 432
COMSOL program
instructions, 903
tubular reactors, 601
Concentration-time data
batch reactors, 246
Concentrations and concentration profiles
active site balances, 411
batch reactors, 247–248, 296–297
differential reactors, 264–265
dilution, 383
dispersion model, 852
flow systems, 114
key reactants, 118
laminar flow, 871
mass transfer
correlations, 701
to single particles, 695
with pressure drop, 178
semibatch reactors, 232
spherical catalyst pellets, 723, 727, 729
T-I-S model, 851
toluene hydrodemethylation, 440
tubular reactors, 855
Confidence limits in nonlinear regression, 261
Configuration in chemical species, 4
Consecutive reactions, 280
Constant heat capacities in enthalpy, 505
Constant-volume batch systems, 110–111, 251
Constant-volume decomposition of dimethyl ether, 276
Constant volumetric flow for differential reactors, 265
Constriction factor in effective diffusivity, 721
Continuous-flow systems, 113–114
reactor time, 35
Continuous-stirred tank reactors (CSTRs)
in butane isomerization, 517–518
bypassing in, 795–796, 871–873, 880–882
conversion in, 868
dead space in, 871–873, 880–882
diagnostics and troubleshooting, 794–797
energy balance, 498–499, 565, 572–574, 585–588, 653
in equilibrium equation, 129–130
for liquid-phase reactions, 12–14
mass balances, 377
modeled as two CSTRs with interchange, 878–880
with multiple steady states, 574–581
nonideal reactors using, 882–883
parallel reactions, 159–160, 288–291
propylene glycol production in, 568–572
RTDs in, 768–769, 785–786, 794–797
in segregation models, 813–814
space time in, 59
for toluene hydrodemethylation, 445–446
unsteady-state operation
energy balance, 499
Convection
mass transfer coefficient in, 691, 693
Convective-diffusion equation, 859
Conversion and reactor sizing, 31–32
continuous-flow reactors, 38–47
conversion definition, 32
CRE Web site material, 64
equilibrium. See Equilibrium conversions
PBRs, 21
Conversion bounds in maximum mixedness model, 823–824
Conversion factors for units, 906–907
Conversion using RTDs, 807
nonideal reactor modeling, 807–808
zero-adjustable-parameter models. See Zero-adjustable-parameter models
Cooking
potatoes, 96
spaghetti, 197
Coolant balance in tubular reactors, 543–545, 600
Coolant temperature
steady-state tubular reactors, 544
Cooling coils in CSTRs, 572–574
Coordinates, reaction, 84
Correlations
dispersion coefficient, 860–862
mass transfer coefficients, 690–693, 700–704
Corrosion of high-nickel stainless steel plates, 100
Costs in ethylene glycol production, 191–192
Countercurrent flow
acetic anhydride production, 562–563
PFR complex reactions with heat effects, 592
Cracking in moving-bed reactors, 469–472
Creativity in reactor selection, 884
Cricket chirping frequency, 99
Critiquing journal articles
diffusion, 765
mass transfer limitations, 717
Crystalline aluminosilicates, 401
Crystals in microelectronic fabrication, 447
CSTRs. See Continuous-stirred tank reactors (CSTRs)
Cumene
in Langmuir–Hinshelwood kinetics, 421–422
Cumulative distribution function, 777
Curie, Marie, 767
CVD (chemical vapor deposition), 448–451
in diffusion and reaction, 753
professional reference shelf for, 757
Cyanide as enzyme inhibitor, 357
Cyclobutane, 335
Cyclohexane, benzene and hydrogen from, 714
Cylindrical pellets, 703
Cytidine, acetic anhydride reaction with, 817–820
Czochralski crystallizers, 447
D
Damköhler numbers
in CSTRs
parallel, 160
in gas-oil catalytic cracking, 471
in segregation models, 813, 815, 818
Danckwerts, P. V.
on boundary conditions in tubular reactors, 856–858
on segregated mixing, 810
Danckwerts boundary conditions
in diffusion and reaction, 685
in dispersion coefficient determination, 863
in dispersion models, 918
Darcy’s Law, 314
Data acquisition for differential reactors, 264
Data analysis. See Rate data collection and analysis
DDT (dichlorodiphenyl-trichloroethane) production, 6
by coking and fouling, 459–461
reactors offsetting, 465
straight-through transport reactors, 472–476
temperature-time trajectories, 465–467
Dead volume
tubular reactors, 798
zones, 768
Dean, A. R. C., 371
Death phase in cell growth, 369
Death rate in winemaking, 371
Decay rate laws
catalyst deactivation, 456–458, 464–465
gas-oil catalytic cracking, 470
straight-through transport reactors, 474–475
Decomposition
in active intermediates, 338
in reactions, 5
Dehydration butanol of alumina, 202
Dehydration reactions, 483–484
Dehydrogenation reactions, 220–221
Deoxygenation of hemoglobin, 275
Deoxyribonucleic acid (DNA) in protein production, 366
Deposition rate laws, 449
Design and design equations
propylene glycol production, 569
toluene hydrodemethylation reactors, 443–445
Desired products
multiple reactions, 281
in toluene hydrodemethylation, 439–440
Dichlorodiphenyl-trichloroethane (DDT) production, 6
Diethanolamine formation, 280
Differential forms and equations
for diffusion in pellets, 723–725, 729–730
Ergun equation, 173
ethylene oxide production, 186
isothermal reactor design, 169
solutions to, 900
triphenyl methyl chloride-methanol reaction, 256–258
tubular flow reactor design equations, 37
Differential reactors, rate data collection and analysis in, 264–270
Differentiation, equal-area graphical, 255–256, 898–899
boundary conditions in, 408–409, 685–688, 690, 726, 728
from bulk to external transport, 408–409
with catalysts, 408–410, 720–721
differential equation for, 723–725, 729–730
effective diffusivity in, 721–723
for tissue engineering, 763–765
chemical vapor deposition in, 753
diffusion- and reaction-limited regime estimation in, 743–744
dispersion model, 852
falsified kinetics in, 737–739
homogeneous systems, 720
internal effectiveness factor, 730
isothermal first-order catalytic reactions, 730–733
isothermal non-first-order catalytic reactions, 733–734
Thiele modulus estimates, 735–737
volume change with reaction, 733
Weisz–Prater criterion, 734–735
journal article problems, 765
journal critique problems, 765
limiting situations for, 750–751
mass transfer coefficients, 690
mass transfer-limited reactions, 697–700
mass transfer to single particles, 693–697
operating condition changes in, 700–704
mass transfer in packed beds, 744–750
multiphase reactors in, 751–753
overall effectiveness factor in, 739–743
questions and problems, 757–765
through stagnant film, 688–690
temperature and pressure dependence in, 686–687
Dilution rate
chemostats, 381
wash-out, 383
Dimensionless cumulative distributions, 788–789
Dimensionless groups in mass transfer coefficient, 691
Dimerize propylene, 53
Dimethyl ether (DME)
decomposition, 276
Diphenyl in reversible reactions, 80–82
Dirac delta function
in PFR RTD, 784
in segregation models, 813
in step tracer experiment, 776
Disappearance of substrate, 349, 378
Disk rupture in nitroaniline production, 645–646
Dispersion
catalysts, 404
one-parameter models, 847
in packed beds, 862
vs. T-I-S models, 869
in tubular reactors, 852–854, 858–862, 866–868
Dispersion coefficient
experimental determination of, 862–866
Dissociative adsorption, 270, 412–415, 450
Distortions in reaction systems, 86–87
Divide and be conquered case, 705–707
DME (dimethyl ether)
decomposition of, 276
DNA (deoxyribonucleic acid) in protein production, 366
Doubling times in growth rates, 371
Dual sites
irreversible surface-reaction-limited rate laws in, 435
surface reactions in catalysts, 416–417
E
E-curves
nonideal reactor modeling, 808
in normalized RTD function, 782–783
in pulse input experiment, 770–775
in RTD moments, 780
Early mixing in nonideal reactor modeling, 809
Economic decisions and incentives for separations systems, 281
Effective diffusivity in spherical catalyst pellets, 721–723
Effective transport coefficient, 695
Effectiveness factor
in internal diffusion, 730
isothermal first-order catalytic reactions, 730–733
isothermal non-first-order catalytic reactions, 733–734
Thiele modulus estimates, 735–737
volume change with reaction, 733
Weisz–Prater criterion, 734–735
in nitrous oxide reductions, 748–750
Efficient parallel reactor schemes, 285
Electronics industry, microelectronic fabrication
chemical vapor deposition in, 448–451
Eley–Rideal mechanism, 431
irreversible surface-reaction-limited rate laws, 435
in surface reactions in catalysts, 418
in toluene hydrodemethylation, 439–440
Elution, 776
EMCD (equimolar counterdiffusion), 724
Emissions, automobile
nitrogen oxides in, 277, 485–486
Endothelium in blood clotting, 302
Endothermic reactions
equilibrium conversion in, 518
interstage heat transfer, 523–524
Energy
conversion factors, 906
acetic anhydride production, 557–558
equilibrium temperature, 521–522
in steady-state nonisothermal design, 508–509
tubular reactors, 510
butane isomerization, 513, 550
heat exchanger in, 565
in multiple reactions, 585–588
unsteady-state operation, 653
ethyl acetate saponification, 649
first law of thermodynamics, 495–496
MCMT production, 665
nitroaniline production, 642
PBRs, 499
PFRs, 499
parallel reactions, 583
propylene glycol production, 570, 636, 653
semibatch reactors, 499
with heat exchangers, 647
multiple reactions, 658
steady-state molar flow rates, 502–504
tubular reactors, 540–543, 598–603
unsteady-state nonisothermal reactors, 630–632
Energy distribution function, 88, 90
Energy economy
Energy flux, tubular reactors, 597–598
Energy flux vectors, 597
Energy rate change with time, 907
Engineering experiment design problem, 925
Engineering judgment in reactor selection, 884
Enthalpies in energy balance, 497, 504–505
Enzymatic reactions, 76, 343–344
batch reactor calculations, 354–356
Briggs–Haldane Equation, 354
enzyme-substrate complex, 344–346
induced fit model, 344
inhibition of. See Inhibition of enzyme reactions
lock-and-key model, 344
Michaelis–Menten equation, 348–354
temperature in, 356
Epidemiology, PSSH for, 392
Epoxydation of ethylene, 329
Equal-area differentiation, 255–256, 898–899
Equations
concentrations in flow systems, 114
differential. See Differential forms and equations
Equilibrium
in adiabatic equilibrium temperature, 519–522
in CVD, 451
Equilibrium constant
in adiabatic equilibrium temperature, 520
in thermodynamic relationships, 909–914
Equilibrium conversions, 518
and adiabatic temperature, 518–522
butane isomerization, 514
endothermic reactions, 518–524
semibatch reactors, 233
Equimolar counterdiffusion (EMCD), 724
Esterification reactions, 226
E(t) curves in maximum mixedness model, 827–828
Ethane
ethylene from, 483
in ethylene glycol production, 192
ethylene hydrogenation to, 452–454
Ethanol
acetaldehyde from, 301
ADH with, 359
butadiene from, 281
in glucose-to-ethanol fermentation, 378–381
Ethoxylation reactions, 312
Ethyl acetate, 204
Ethyl acetate saponification, 647–650
Ethylbenzene
hydrogenation to ethylcyclohexane, 492
Ethylene
epoxydation of, 329
from ethane, 483
Ethylene chlorohydrin, 240
Ethylene glycol (EG)
from ethylene chlorohydrin and sodium bicarbonate, 240
from ethylene oxide, 185
synthesizing chemical plant design for, 190–192
Ethylene oxide (EO), 280
in ethylene glycol production, 191
Eukaryotes, doubling times for, 371
Euler method, 825
Evaluation
batch operations, 145–146, 297–298
CSTR series reactions, 300–301
ethylene glycol production, 150, 159
gas phase, 211
nitrogen oxide production, 215
propylene glycol production, 651–656
toluene hydrodemethylation, 446
triphenyl methyl chloride-methanol reaction, 254
tubular reactor design, 167–168
Excel
CSTR parameter modeling, 874–876
trityl-methanol reaction, 250–251
Excess method in batch reactors, 246
Exchange volumes in CSTR parameter modeling, 879–880
Exhaust streams, automobile
nitrogen oxides in, 277, 485–486
Exit-age distribution function, 777
Exit temperature in interstage cooling, 524–525
Exothermic reactions, 507, 518–522
equilibrium conversion, 518–522
interstage heat transfer, 523–526
safety issues, 603–605, 640–646
Experimental observation and measurements, 8, 75
for dispersion coefficient, 862–866
for mass transfer limitations, 712
Experimental planning
professional reference shelf for, 273
in rate data collection and analysis, 271
Explosions
nitrous oxide plant, 613, 673–674
Explosive intermediates, microreactors for, 212
Exponential cell growth, 368–370
Exponential decay rate law in catalyst deactivation, 464
Exponential integrals, 815
External diffusion effects. See Diffusion
External mass transfer in nitrous oxide reductions, 749
Extinction temperature in multiple steady states, 579
F
F-curves
nonideal reactor modeling, 808
RTD, 777
Fabrication, microelectronic
chemical vapor deposition in, 448–451
Facilitated heat transfer, 712
Falsified kinetics
in diffusion and reaction, 737–739
exercise, 763
Fan, L. T.
on RTD moments, 778
on tracer techniques, 777
Fanning friction factor, 175
Fast orange formation, 135–136
Fed batch reactors. See Semibatch reactors
Feed stocks, catalyst poisoning in, 461
Feed temperature in equilibrium conversion, 526–528
Femtosecond spectroscopy, 335
Fermentation
Fibers, terephthalic acid for, 326–327
Fibrinogen, 302
Fick’s law
Film, diffusion through, 690
Finlayson, B. A., 745
Firefly flashing frequency, 99
First law of thermodynamics, 495–496
First-order rate laws, 75, 338–339
First-order reactions, 73
batch operations, 146
CSTR design
differential equations for
diffusion in spherical catalyst pellets, 729–730
solutions, 900
multiple steady states, 577
nonideal reactor modeling, 809
PFR reactor volume for, 142–144
reversible, 518
segregation models, 812
Fitting tail, 801
Five-point quadrature formula
PFR sizing, 44
Fixed-bed reactors. See Packed-bed reactors (PBRs)
Fixed concentration in mass transfer correlations, 701
Fixed coordinate systems in molar flux, 682
Flashing frequency of fireflies, 99
Flat velocity profiles, 848
Flow
in energy balance, 496
numerical solutions to, 870–871
in pipes
Flow rates
mass transfer and reaction, 745
mass transfer correlations, 700
multiple reactions, 282
space time, 59
Flow reactors, 113–114. See also specific flow reactors by name
concentrations in, 114
CSTR, 36
balance on transfer fluid, 543–545
CRE Web site material, 607–609
multiple steady states, 574–581
nonisothermal reactions, 581–595
PFR/PBR design algorithm, 545–563
questions and problems, 610–626
radial and axial variations in tubular reactors, 595–603
steady-state tubular reactors, 540–543
supplementary reading, 626–627
with variable volumetric flow rate, 115–126
Fluid fraction in laminar flow reactors, 787
Fluid Peclet number, 855
Fluidized-bed reactors, 79, 753, 756–757
Fluidized continuous-stirred tank reactors, 445–446
Flux equation for diffusion in spherical catalyst pellets, 724
Force, conversion factors for, 906
Forced convection, mass transfer coefficient in, 691, 693
Formaldehyde
from methanol, 359
Formation rates in azomethane decomposition, 336–337
Fouling in catalyst decay, 459–461
Four-point rule in integral evaluation, 902
Fourier’s law, 683
Fractional area balance in CVD, 449
Free radicals
as active intermediates, 335
in bimolecular reactions, 70
Frequency factors in activation energy, 91
Freudlich isotherms, 415
Friction factor in pipe pressure drop, 175
Frog legs experiments, 683–684
Frossling correlation, 692, 694
F(t) function in integral relationships, 777
G
Gallium arsenide layers, 448
Gas-hourly space velocity (GHSV), 61
Gas oil, catalytic cracking of, 469–472
Gas phase and gas-phase reactions
adiabatic exothermic irreversible, 67
complex reactions with heat effects in PFRs, 589
in CVD, 449
elementary and reversible, 80
flow reactors with variable volumetric flow rate, 115–126
liquid-phase concentrations, 114–115
packed beds, 140
tubular reactors, 14, 163–165, 542–543
Gas-solid heterogeneous reactions, 244
Gas volumetric flow rate in space velocity, 61
Gasoline
catalyst poisoning, 461
Gaussian program, 335
General mole balance equation, 8–10
CSTRs, 13
tubular reactors, 15
Generation heat in multiple steady states, 576–578
Generic power law rate laws in gas phase, 210
Germanium epitaxial film, 448–449
GHSV (gas-hourly space velocity), 61
Gibbs free energy
in cumene adsorption, 425
in equilibrium constant, 910–911
Globules in segregation models, 810–812
Glow sticks, 342
Glucose in wine-making, 370
Glucose-to-ethanol fermentation, 378–381
Goals for nonideal reactors, 846
Goodness of fit in rate data analysis, 245
Gradientless differential reactors, 264
Graphical methods
batch reactor data analysis, 252
equal-area differentiation, 898–899
triphenyl methyl chloride-methanol reaction, 255–256
Gravitational conversion factor, 907
Greek symbols, 923
Growth of microorganisms. See Bioreactors
H
Hagen–Poiseuille equation, 858
Hanes–Woolf model
for Michaelis–Menten equation, 351–353
of Monod equation, 376
Heat capacities in enthalpy, 505
Heat effects. See also Temperature
COMSOL for, 917
in semibatch reactors, 647–650
in steady-state nonisothermal reactors. See Steady-state nonisothermal reactors
Heat exchangers
acetic anhydride production, 559–560
energy balance, 565
microreactors, 212
PFR/PBR with heat effects, 547
steady-state nonisothermal reactors. See Flow reactors
Heat load in interstage cooling, 525–526
Heat of reactions
Heat terms in multiple steady states, 575–578
Heat transfer
to CSTRs, 565
in diffusion, 683
in mass transfer coefficient, 691
in mass transfer limitations, 712
in pressure drop, 185
Height, energy barrier, 85
Helium mixture in monopropellant thrusters, 702
Hemoglobin, deoxygenation of, 275
Hemostasis process, 302
Heterogeneous catalytic processes
in methane production, 269
phases in, 401
Heterogeneous data analysis, 436–437
Heterogeneous reactions, 7, 70, 79–80
data for, 244
external diffusion effects on. See Diffusion
mass transfer of reactants in, 720
High-fructose corn syrup (HFCS), 344
High-nickel stainless steel plates, 100
High temperature in multiple steady states, 577
Hilder’s approximation, 815
Holding time in space time, 59
Homogeneous reactions, 70, 76–77
data for, 244
rate law parameters for, 246
Homogeneous systems, diffusion and reactions in, 720
Honeybee flight speed, 100
Hot spots in microreactors, 212
Hydrazine for space flights, 702–704
Hydrocarbons, partial oxidation of, 312
Hydrocracking, temperature-time trajectories, 466–467
Hydrodemethylation of toluene, 79–80, 437–446
Hydrodesulfurization reactor design problem, 926
Hydrodynamic boundary layer in diffusion, 688
Hydrogen
ammonia from, 420
from cyclohexane, 714
dissociative adsorption of, 450
in enzyme-substrate complex, 344
in membrane reactors, 219
in methane production, 266–270
in reversible reactions, 80–82
from water-gas shift reaction, 912–914
Hydrogen-based energy economy, 239–240
Hydrogen peroxide
decomposition, 392
sodium thiosulfate reaction, 574
Hydrogenation reactions
of ethylene to ethane, 452–454
membrane reactors for, 312
Hydrolases enzymes, 346
Hydrolysis
semibatch reactor operation, 226
starch, 394
Hydrophobic forces for enzyme-substrate complex, 344
Hyperbolic decay rate law, 464
Hypothetical stagnant film in diffusion, 689
I
Ideal gas constant, 905
Ideal gas law, 35
Ideal reactors
in two-parameter models, 871–873
Identity
in chemical species, 4
in reactions, 5
Ignition-extinction curves, 578–581
Ignition temperature
in equilibrium conversion, 527
in multiple steady states, 579
Imperfect pulse injection in step tracer experiment, 776
IMRCFs (inert membrane reactors with catalyst pellets on the feed side), 217–218
Independent reactions, 280–281, 581
Induced fit model for enzyme-substrate complex, 344
Industrial reactors
dimerize propylene into olefins, 53
Inert membrane reactors with catalyst pellets on the feed side (IMRCFs), 217–218
Inhibition of enzyme reactions, 356–357
Inhibitor molecules, 361
Initial conditions in tubular reactors, 600
Initial rates for differential reactors, 264
Initiation step in chain reactions, 343
Inlet conditions
differential reactors, 266
equilibrium conversion, 527–528
Instantaneous selectivity
multiple reactions, 281
semibatch reactors, 227
Instantaneous yield in multiple reactions, 282
Insulin production, 364
Integral data analysis method, 247–251
Integral relationships in RTDs, 777–778
Integrals
numerical evaluation of, 901–902
Integrated circuit fabrication
Interchange in CSTR modeling, 878–880
Interfacial area for catalytic reactions, 401
Intermediates, active. See Active intermediates
Internal-age RTDs, 783–784, 801
Internal effectiveness factor
in diffusion, 730
isothermal first-order catalytic reactions, 730–733
isothermal non-first-order catalytic reactions, 733–734
Thiele modulus estimates, 735–737
volume change with reaction, 733
Weisz–Prater criterion, 734–735
in nitrous oxide reductions, 748–750
Interrupted isothermal operations, 640–646
Interstage heating and heat transfer
reactor trains with, 536
Ionic forces for enzyme-substrate complex, 344
Irreversible reactions, 70
exothermic, 67
isomerization, 436
order in, 246
Irreversible surface-reaction-limited rate laws, 435
Isobutane production, 512–518, 548–555
Isomerases enzymes, 346
Isomerization
butane, 55–58, 512–518, 548–555
irreversible, 436
isothermal gas-phase, 39
in reactions, 5
Isopropyl isocyanate decomposition, 278
Isotherm equation in adsorption, 415
Isothermal operations
catalytic reactions
flow reactors, 121
gas-phase isomerization, 39
nitroaniline production, 642–643
sulfur dioxide gas-phase reactions, 121
sulfur dioxide rate law, 124
Isothermal reactors, 139
COMSOL for, 918
CRE Web site material, 195–196
CSTRs, 152
design equations, 94
learning resources for, 195–196
molar flow rates. See Molar flow rates
ODE solver algorithm, 194
pressure drop, 169
flow through packed beds, 170–174
questions and problems, 196–205
supplementary reading, 205
synthesizing chemical plant design, 190–192
Isotherms, adsorption, 410–415
J
Januvia, 357
Johnson, Samuel, 333
Journal critique problems
diffusion, 765
mass transfer limitations, 717
Junction balance in CSTR parameter modeling, 873, 877
K
Key reactant concentrations, 118
Kidneys, artificial, 346
Kind in chemical species, 4
Kinematic viscosity
of helium, 702
in mass transfer coefficient, 691
Kinetic energy in energy balance, 497
Kinetics in catalyst deactivation, 455, 463
Knee joint replacements, 763–765
Knudsen diffusion, 721
Knudsen phase, diffusion in, 686–687
Kunii–Levenspiel fluidization model, 753
L
Labs-on-a-chip, 212
Lag phase in cell growth, 368
Laminar flow
Aris–Taylor analysis for, 870–871
dispersion for
Laminar flow reactors (LFRs)
in segregation models, 813–815
Langmuir, Irving, 413
Langmuir–Hinshelwood kinetics
in catalyst surface reactions, 418
for heterogeneous reactions, 79, 244
nonlinear regression for, 259
in rate limiting, 419
single-site mechanisms, 694
Large molecules, synthesis of, 366
Late mixing, nonideal reactor modeling, 809
Le Châtelier’s principle, 911
Lead in gasoline, 461
Lead titanate, 715
Least-squares analysis
batch reactors, 259
multiple reaction analysis, 317
professional reference shelf for, 273
Levenspiel, O.
on dispersion coefficient determination, 864
on dispersion model, 853
on reaction combinations, 883
on tubular reactor boundary conditions, 858
adiabatic isomerization, 57
butane isomerization, 515
PFRs in series, 52
LFRs (laminar flow reactors)
in segregation models, 813–815
LHSV space velocity, 61
Ligases enzymes, 346
Light from ultrasonic waves, 340–342
Limiting reactants
in conversion, 32
Limiting situations for diffusion, 750–751
Linear decay rate law in catalyst deactivation, 464
Linear least squares, 259
Linear plots in batch reactor data analysis, 247–249
Lineweaver–Burk plots
for inhibition
competitive, 359
uncompetitive, 361
for Michaelis–Menten equation, 350–351
Liquid-hourly space velocity (LHSV), 61
Liquid phase and liquid-phase reactions
batch systems, 34, 110–111, 144
butane isomerization, 55–58, 512–518
MCMT production, 660
methanol-triphenyl reaction, 276
pressure drop, 169
selectivity in, 227
Living example problems (LEPs)
active intermediates, enzymatic reactions, pharmacokinetic models, and bioreactors, 387
catalysts, 480
flow reactors with heat exchange, 608
isothermal reactors, 196
multiple reactions, 321
nonideal reactors, 887
nonisothermal reactors
steady-state, 530
unsteady-state, 670
rate data collection and analysis, 273
RTDs, 801
zero-adjustable-parameter models, 837
Locally stable steady-state values, 580
Lock-and-key model, 344
Log-log paper
batch reactor analysis, 252
triphenyl methyl chloride-methanol reaction, 256
Logic vs. memorizing, 140, 142
Logistic growth law, 395
London van der Waals forces, 344
Low temperature in multiple steady states, 577
Lubricant design problem, 925
Luedeking–Piret equation, 375
Luminescence from ultrasonic waves, 340–342
Lyases enzymes, 346