M
Macrofluids in nonideal reactor modeling, 809–810
Maintenance in cell growth, 373
Marx, Groucho, 139
Mass, conversion factors for, 906
Mass balances. See also Mole balances
in glucose-to-ethanol fermentation, 378–381
Mass flow rate through packed beds, 171
Mass transfer boundary layers, 688
Mass transfer coefficients
in diffusion, 690
mass transfer-limited reactions, 697–700
mass transfer to single particles, 693–697
in hydrazine decomposition, 703
in nitrous oxide reductions, 749
in PBRs, 750
“what if” conditions for, 705–709
Mass transfer limitations, 679–680
diffusion
mass transfer coefficient, 690–704
through stagnant film, 688–690
on metallic surfaces, 712
“what if” conditions for, 705–709
Mass transfer
in diffusion, 683
in heterogeneous reactions, 720
mass transfer-limited reactions, 697–700
in microreactors, 212
in packed beds, 697–700, 744–750
Material Safety Data Sheets (MSDS), 162
Mathematically tractable nonideal reactor models, 846
MATLAB program
adiabatic tubular reactors, 511
CSTR parameter modeling, 874–876
ethylene oxide production, 188
explanation of, 916
instructions, 903
isothermal reactors, 194
non-adiabatic PFR energy balance, 501
nonlinear regression, 261
Maximum mixedness model, 820–826
multiple reactions in, 831–835
nonideal reactor modeling, 809
vs. segregation model, 829–830
software packages for, 827–829
Maxwell–Boltzmann distribution, 87–90
MCMT (methylcyclopentadienyl manganese tricarbonyl) production, 660–668
Mean conversion
laminar flow reactors, 817–820
Mean residence time
dispersion coefficient determination, 865
in space time, 59
Measured variables
in rate data analysis, 244
in triphenyl methyl chloride-methanol reaction, 254
Medical applications. See Pharmacokinetics
MEK (methyl ethyl ketone) production, 486
Membrane reactors
for multiple reactions, 312–316
packed bed, 172
Memorization vs. logic, 140, 142
Metabolism of alcohol, 927
Metallic surfaces, mass transfer-limited reactions on, 712
Metaxylene isomerization, 202
Methane
from carbon monoxide and hydrogen, 266–270
para-xylene from, 401
ADH with, 359
synthesis problem, 926
in triphenyl methyl chloride reaction, 254–258
in trityl-methanol reaction, 249–251
Methyl bromide production, 230–233
Methyl ethyl ketone (MEK) production, 486
Methylcyclohexane, toluene from, 489
Methylcyclopentadienyl manganese tricarbonyl (MCMT) production, 660–668
Michaelis constant, 348–350, 359
Michaelis–Menten kinetics and equations, 334
in competitive inhibition, 357
in enzymatic reactions, 348–354
substrate concentration in, 355
in uncompetitive inhibition, 359–361
Microbial growth. See Bioreactors
Microelectronic fabrication
chemical vapor deposition in, 448–451
Microfluids in nonideal reactor modeling, 809–810
Microorganism growth. See Bioreactors
Microreactors
molar flow rate algorithm, 212–217
Mild reaction conditions in bioconversions, 365
Minimum mixedness, 820
Mixers in microreactors, 212
Mixing
nonideal reactors, 769, 808–809
RTDs, 770
Model discrimination in catalysts, 451–454
Modeling nonideal reactors
zero-adjustable-parameter models. See Zero-adjustable-parameter models
Molar average velocity in diffusion, 683
Molar feed rate in flow reactors, 35
balance equation, 208
CRE Web site material, 236–237
CSTRs, 14
ethylene glycol production, 191
flow reactors, 35, 115–117, 128
gas phase, 210
learning resources, 236
membrane reactors, 217–225, 313–314
multiple reactions, 282, 313–314, 316
ODE solver algorithm, 235
PFR/PBR with heat effects, 546–547
tracer, 852
unsteady-state operation of stirred reactors, 225–226
Molar flux in tubular reactors, 596–597
Molar rate of mass transfer in diffusion, 739–740, 742
acetic anhydride production, 556–557
adiabatic tubular reactors, 510
batch reactors, 10–12, 144–146
in design equations, 33
enzymatic reactions, 354
integral data analysis, 248
butane isomerization, 512, 549
catalyst decay, 458
CFRs (continuous flow reactors), 12–22
CRE (chemical reaction engineering) Web site material, 24–26
with cooling coils, 573
liquid phase, 308
multiple reactions, 586
unsteady-state operation, 652–653
ethyl acetate saponification, 648
ethylene glycol production, 148–149, 158
gas-oil catalytic cracking, 470
general mole balance equation, 8–10
homogeneous systems, 720
inert tracer in dispersion model, 853
liquid phase, 208, 210, 308, 310
mass transfer and reaction in packed beds, 745
maximum mixedness model, 822–823
mean conversion in laminar flow reactors, 818
membrane reactors, 219, 221–222, 314
moving-bed reactors, 468
multiple reactions, 283–284, 314, 586, 657
nitroaniline production, 641
nitrogen oxide production, 214
nitrous oxide reductions, 748
nonisothermal reactor design
steady-state, 494
unsteady-state, 631
PFRs
first-order gas-phase reaction, 142–143
professional reference shelf for, 25–26
propylene glycol production, 569, 635, 652–653
rate data analysis, 244
semibatch reactors, 227–228, 230, 310, 657
straight-through transport reactors, 472–474
T-I-S model, 851
toluene hydrodemethylation, 446
triphenyl methyl chloride-methanol reaction, 254
adiabatic, 510
design, 166
with heat exchange, 542
Molecular sieves, 401
Molecularity of reactions, 70
Molecules in diffusion, 681
Moles
in reactors in series, 47
Momentum transfer in diffusion, 683
Monod equation, 334
for exponential growth, 369–370
Hanes–Woolf form, 376
Monoethanolamine formation, 280
Monolithic catalysts, 401
Monopropellant thrusters, 702–704
Monsanto plant accident, 640–646
MOSFET devices, 447
Moving-bed reactors, catalyst deactivation in, 467–472
MSDS (Material Safety Data Sheets), 162
Multiphase reactors in diffusion, 751–753
Multiple reactions, 279
analysis for, 317
complex. See Complex reactions
CRE Web site material, 320–322
for digital-age problems, 317–318
membrane reactors for, 312–316
nonisothermal, 581
packed bed flow, 172
parallel. See Parallel reactions
series, 280
Multiple regression techniques, 441–442
Multiple steady states, 574–575
heat of generation in, 576–578
ignition-extinction curves, 578–581
Multiple substrate systems, 388
Multiplication, cell, 367
Mystery Theater module, 198
N
N-butyl alcohol, dehydration of, 483–484
National Oceanic and Atmosphere Administration (NOAA), 604
Negative steps in step tracer experiment, 776
Net rates
batch reactor series reactions, 296
CSTRs
liquid phase, 308
series reactions, 299
membrane reactors, 314
multiple reactions, 284–285, 296
parallel reactions, 285, 289, 583
PBR gas phase reactions, 305
PFR complex reactions with heat effects, 589
of reaction, 71
Newberger, Tim, 105
Nitration reactions, 312
Nitroaniline from ammonia and ONCB, 604, 640–642
batch operation with heat exchange, 644–645
Nitrogen
ammonia from, 420
from benzene diazonium chloride, 91
skin exposure to, 714
Nitrogen dioxide
from nitrogen oxide, 390
from reversible gas-phase decompositions, 126–130
Nitrogen oxides
in automobile emissions, 277, 485–486
nitrogen dioxide from, 390
Nitrogen tetroxide decomposition, 126–130
Nitrous oxides
in plant explosion, 613, 673–674
Non-adiabatic energy balance, 501
Noncompetitive inhibition, 361–363
Nondissociated adsorption, 412
Nonelementary rate laws, 76–80, 334–335
chain reactions in, 343
mechanism searches in, 339–342
Nonenzymatic lipoprotein, 302
Nonflat velocity profiles in dispersion, 858
Nongrowth associated product formation, 372, 374
Nonideal reactors, 845
dispersion flow solutions, 870–871
pharmacokinetic modeling, 883–884
tubular
balance equations in, 854
boundary conditions in, 855–858
dispersion coefficient correlation, 860–862
dispersion coefficient determination, 862–866
two-parameter models, 848, 871–873
zero-adjustable-parameter models. See Zero-adjustable-parameter models
Nonisothermal reactions, 581
COMSOL for, 918
steady-state. See Steady-state nonisothermal reactors
unsteady-state. See Unsteady-state nonisothermal reactors
Nonlinear least-squares, 317
Nonlinear regression
batch reactor data analysis, 258–263
cell growth, 376
ethylene hydrogenation to ethane, 452–453
Michaelis–Menten equation, 353
toluene hydrodemethylation, 441–442
Nonseparable kinetics in catalyst deactivation, 455
Normal pentane, octane number of, 433
Normalized RTD function, 782–783
Nuclear processes, Fermi work on, 29–30
Nuclear region in cells, 366
Number in chemical species, 4
Numerical techniques
adiabatic tubular reactors, 511
batch reactor data analysis, 252–253
differential equations. See Differential forms and equations
equal-area graphical differentiation, 898–899
for flows with dispersion and reaction, 870–871
integrals
numerical evaluation of, 901–902
for membrane reactors, 223
semilog graphs, 903
software packages, 903
Nutrients in cell growth, 373–374
O
Octane, butyl alcohol for, 482
Octane number
interstage heat transfer in, 523–524
from lead, 461
in petroleum refining, 431–433
ODE solvers. See Ordinary differential equation (ODE) solvers
Olefins from dimerize propylene, 53
One adjustable parameter models, nonideal reactor modeling, 808
One-parameter models for nonideal reactors, 846–847
One-third rule, 902
Open-open boundary conditions
in dispersion coefficient determination, 864–866
Open systems, first law of thermodynamics for, 495
Open vessel dispersion, 855
Operating conditions
mass transfer coefficients, 700–704
Operating costs in ethylene glycol production, 191–192
Optimum feed temperature in equilibrium conversion, 526–528
Optimum yield in batch reactor series reactions, 297
Orbital distortions, 87
Order of magnitude of time in batch operation, 147
Ordinary differential equation (ODE) solvers
adiabatic tubular reactors, 511
catalyst decay, 479
gas phase, 211
isothermal reactors, 194
molar flow rates, 235
multiple reactions, 317
Organic reactions, liquid-phase, 110
Orthonitroaniline from ammonia and ONCB, 135–136
Orthonitrochlorobenzene (ONCB)
orthonitroaniline from, 135–136
Oscillating reactions, 323
Outlet concentration in nonideal reactors, 847
Overall effectiveness factor
diffusion and reaction, 739–743, 758
nitrous oxide reductions, 748–750
Overall mass balance, 228
Overall mass transfer coefficient, 220
Overall selectivity
membrane reactors, 313
Overall yield in multiple reactions, 282
Overenthusiastic engineers, 707–709
Oxidation
membrane reactors for, 312
Oxidoreductases enzymes, 346
Oxygen-18 data, 717
Oxygen in water splitting, 487–488
Ozone reactions with alkenes, 277
P
Packed-bed reactors (PBRs), 12, 18–22
catalyst poisoning in, 462–463
design equations for, 94
dispersion in, 862
energy balance for, 499
flow reactor design equations, 37–38
gas-phase reactions, 140
with heat exchange, 499
acetic anhydride production, 556–563
mass transfer, 697–700, 744–750
ODE solvers algorithms for, 194
RTDs, 768
for toluene hydrodemethylation, 443–445
transfer-limited reactions in, 750–751
Parallel reactions, 280
in mass transfer-limited reactions, 705
PFRs with heat effects, 582–585
reactor selection and operating conditions, 291–294
Partial differentiation (PDE) solvers for diffusion, 682, 685
Partial oxidation, membrane reactors for, 312
Partial pressures
in sulfur dioxide rate law, 123–126
Particle size
in internal diffusion, 409–410
PBRs. See Packed-bed reactors (PBRs)
Peach Bottom nuclear reactor problem, 925
Peclet number
in dispersion and T-I-S models, 869
in dispersion coefficient determination, 862–864, 866
nonideal reactor modeling, 808
in tubular reactors, 854–855, 858
Peclet–Bodenstein number, 869
differential equation for, 723–725, 729–730
effective diffusivity in, 721–723
in internal diffusion, 409
Penicillium chrysogenum formation, 369
Perfect mixing in CSTRs, 13, 36, 286
Perfect operation
in tubular reactors, 797
PFRs. See Plug-flow reactors (PFRs)
competitive inhibition, 357–359
in drinking and driving, 324–325
Tarzlon, 325
Phases
cell growth, 368
gas. See Gas phase and gas-phase reactions
heterogeneous reactions, 7
liquid. See Liquid phase and liquid-phase reactions
Photochemical decay of aqueous bromine, 276–277
Photos of real reactors, 25
Physical adsorption, 403
Picasso’s reactor, 17
Pipes
Plant effluents, nitrous oxides in, 746–750
Platinum on alumina as reforming catalyst, 432–434
Plug flow
in diffusion, 684
in tubular reactor design, 163, 166
Plug-flow reactors (PFRs), 12, 14–18
complex reactions with heat effects, 588–595
conversion in, 868
CSTRs in series as approximation of, 51–57
energy balance, 499
parallel reactions, 583
for gas-phase reactions, 142–144
acetic anhydride production, 556–563
mean conversion in, 818
nonideal reactors using, 882–883
parallel reactions, 289–291, 582–585
in segregation models, 813, 815–816
in series, 52
Point of no return in nitroaniline production, 644
Poisoning
Polanyi–Semenov equation, 93
Polydisperse solids, mass transfer limitations of, 712
Polyesters
ethylene glycol for, 157
from ethylene oxide, 185
Polymath programs (Living Example Problems (LEPs))
acetic anhydride production, 558–563
blood clotting, 303
butane isomerization, 516, 550, 552–553
cell growth, 376
CSTRs
with bypass and dead volume, 880–882
liquid phase, 309
with multiple reactions, 587–588
unsteady-state operation, 654–655
energy balance, 501
ethyl acetate saponification, 650
ethylene hydrogenation to ethane, 452–453
ethylene oxide production, 188–190
gas-oil catalytic cracking, 470–471
glucose-to-ethanol fermentation, 380
heat effects, 584
instructions, 903
isothermal reactors, 194
maximum mixedness model, 828–829
mean conversion, 819
membrane reactors, 223–224, 315
methyl bromide production, 231–232
Michaelis-Menten equation, 353
multiple reactions, 315, 587–588, 659–660, 833–835
nitroaniline production, 644
nitrogen oxide production, 215–216
nonlinear regression, 261–263, 376
PBR gas phase reactions, 306–307
propylene glycol production, 571–572, 637–638, 654–655
straight-through transport reactors, 475–476
toluene hydrodemethylation, 441–442, 444
trityl-methanol reaction, 250–251
variable volumetric flow rate, 127–128
Polymerization
bioreactors, 366
professional reference shelf for, 387–388
screw extruders in, 777
Polynomial fit for E(t) curves, 827–828
Pore closure in catalyst deactivation, 456
Porous catalyst systems, 401
Potential energy in energy balance, 497
Power law
and elementary rate laws, 72–75
in gas phase, 210
for homogeneous reactions, 244
Practical stability limit
CSTR unsteady-state operation, 651
propylene glycol production, 654–655
Pressure
conversion factors for, 906
in energy balance, 496
in flow reactors with variable volumetric flow rate, 116
in sulfur dioxide rate law, 123–126
Pressure drop
in ethylene oxide production, 185–190
in isothermal reactor design, 169, 209
flow through packed beds, 170–174
tubular reactors with heat exchange, 542
Price in ethylene glycol production, 191–192
Product-enzyme complex, 353–354
Product formation in cell growth, 371–377
Production rate in dilution, 383
Products, catalyst poisoning by, 463
Promoters, 402
Propagation step in chain reactions, 343
Propane, dehydrogenation for, 221
Propylene
from cumene, 5
in Langmuir–Hinshelwood kinetics, 421–422
Propylene glycol production
adiabatic reactors, 568–572, 634–639
CSTR unsteady-state operation, 651–656
Propylene oxide, propylene glycol from, 568–572
Prostaglandin, inhibiting production of, 357
Prothrombin, 303
Pseudo-steady-state-hypothesis (PSSH), 333
for active intermediates, 335–338
for epidemiology, 392
rate laws derived from, 435
Pulse input experiment for RTDs, 770–776
Pulse tracer inputs, 772–773, 785, 848, 862
Pyridine hydro-chloride, 249
Q
Q term in CSTRs with heat effects, 564–567
Quarderer, G. C., 271
R
Radial concentration profiles, 871
Radial mixing in tubular reactors, 858
Radial variations in tubular reactors, 595–596
Radioactive decay, 70
Raney nickel, 401
Rapid reactions on catalyst surfaces, 693–697
adsorption, 412
Rate data collection and analysis, 243
CRE Web site material, 272–273
data analysis algorithm, 244–245
differential reactors, 264–270
experimental planning in, 271
Rate laws, 69
acetic anhydride production, 557
adiabatic equilibrium temperature, 520
adsorption, 412
azomethane decomposition, 336–337
batch reactors, 145–146, 253–258, 295
butane isomerization, 512, 549–550
derived from PSSH, 435
temperature dependence of, 436
cell growth, 369–371, 374, 376–377
CRE Web site material for, 96–97
CSTRs
with cooling coils, 573
liquid phase, 308
parameter modeling, 876
single, 152
unsteady-state operation, 653
cumene decomposition, 430
CVD (chemical vapor deposition), 449
dehydration butanol of alumina, 202
ethyl acetate saponification, 649
ethylene glycol production, 149, 151, 158
ethylene hydrogenation to ethane, 452
ethylene oxide production, 186
gas-oil catalytic cracking, 470
glucose-to-ethanol fermentation, 379
homogeneous reactions, 246
inhibition
competitive, 357
noncompetitive, 361
substrate, 363
uncompetitive, 360
irreversible surface-reaction-limited, 435
isothermal reactor design, 169–170, 209
mean conversion, 818
methyl bromide production, 230
multiple reactions, 284–285, 314, 317, 586–587, 658
nitroaniline production, 641
nitrogen oxide production, 214
nitrous oxide reductions, 748
nonelementary. See Nonelementary rate laws
nonlinear regression for, 262
PBR gas phase reactions, 304–305, 546
PFR reactors
with heat effects, 546, 588–589
parallel, 583
volume for first-order gas-phase reaction, 142–143
propylene glycol production, 569, 635, 653
from PSSH, 435
questions and problems, 98–103
reactor sizing and design, 93–94
semibatch reactors, 227, 230, 310, 658
spherical catalyst pellets, 724–725
steady-state nonisothermal reactor design, 494
straight-through transport reactors, 474
supplementary reading for, 103–104
surface-reaction-limited irreversible isomerization, 436
surface reactions in catalysts, 416–417
temperature dependence of, 436
toluene hydrodemethylation, 438, 440, 443, 446
triphenyl methyl chloride-methanol reaction, 254–258
trityl-methanol reaction, 251
tubular reactors
adiabatic, 510
for urea
decomposition, 354
variable volumetric flow rate, 129
Web sites for, 919
Rate-limiting
in catalytic reactions, 419–420
Rate of change of energy with time, 907
Rate of consumption in spherical catalyst pellets, 727
Rate of desorption, 418
Rate of detachment in adsorption, 412
Rate of disappearance of substrate, 349
Rate of formation
azomethane decomposition, 336–337
in relative rates of reaction, 70–72
azomethane decomposition, 336
catalysts in diffusion, 405
CSTRs, 13
diffusion and reaction, 739–742
internal effectiveness factor, 730–733
multiple reactions, 282
nonlinear regression for, 259–260
packed bed transfer-limited reactions, 751
Rate of transport in membrane reactors, 220
Rate selectivity parameter in parallel reactions, 286
Reactants and reactant concentrations
catalyst poisoning by, 463
continuous-flow reactors, 39
in conversion, 32
differential reactors, 264
energy of formation of, 85
in heterogeneous reactions, 720
mass transfer of, 720
multiple reactions, 281
semibatch reactors, 233
Reaction coordinates, 84
Reaction-limited regime estimation, 743–744
Reaction mechanisms, searching for, 339–342
Reaction rate constant, 72, 83–93
Reaction rate law
catalyst deactivation, 455–456
catalyst decay, 458
Reaction steps with catalysts, 405–406
Reaction surface area in heterogeneous reactions, 7
Reaction time in batch reactors, 145–151
Reaction yields in multiple reactions, 282
Reactions
rates. See Rate of reaction
Reactive distillation, 226
Reactor lab
isothermal reactor design, 195
Reactor length in nitrous oxide reductions, 750
Reactor-rate constant in adiabatic operations, 638–639
Reactor staging with interstate cooling or heating, 522–526
butane isomerization, 55
continuous-flow reactors, 39–40
conversion factors, 906
ideal gases, 905
membrane reactors, 219
in space time, 59
tubular reactors, 164
Reactors. See also specific reactor types by name
in parallel reactions, 291–294
in rate data analysis, 244
CSTRs and PFRs combination, 53–57
CSTRs and PFRs comparisons, 57–58
PFRs, 52
sizing. See Conversion and reactor sizing
for toluene hydrodemethylation, 443–445
Real reactors
in two-parameter models, 871–873
Realistic models for nonideal reactors, 846
Reciprocal concentrations, 248
Reciprocal power decay rate law, 464
Recycle reactors, 196
Recycle stream in parallel reactions, 291
Reforming process, 432
Regression
in activation energy determinations, 91
batch reactor data analysis, 258–263
cell growth, 376
ethylene hydrogenation to ethane, 452–453
Michaelis–Menten equation, 353
toluene hydrodemethylation, 441–442
triphenyl methyl chloride-methanol reaction, 258
Relative rates of reaction
batch reactor series reactions, 295
CSTR liquid phase, 308
defined, 70
MCMT production, 665
parallel reactions, 583
PBR gas phase reactions, 305
PFR complex reactions with heat effects, 589
stoichiometric coefficients, 71–72
Residence time distribution function, 771
Residence time distributions (RTDs), 212, 767
conversion prediction. See Conversion using RTDs
diagnostics and troubleshooting
ideal reactors
laminar flow reactors, 786–789
integral relationships in, 777–778
internal-age distribution, 783–784
mean residence time in, 778, 788
PBRs, 768
pulse input experiment for, 770–776
step tracer experiment, 775–777
T-I-S model, 850
Web site material, 801
Respiration rate of chipmunks, 713
Reversible gas-phase decompositions, 126–130
Reversible isomerization, 436
Reversible reactions, 70
Reynolds number
in dispersion coefficient determination, 862
in mass transfer coefficient, 691, 693, 696
in mass transfer correlations, 701
Ribonucleic acid (RNA), 366
RTDs. See Residence time distributions (RTDs)
Runaway reactions
batch reactors with interrupted isothermal operation, 639–646
from falsified kinetics, 739
S
Saccharomyces cerevisiae, 378–381
Safety
ethylene glycol, 162
exothermic reactions, 603–605, 640–646
Safety and Chemical Engineering Education (SAChE) program, 604–605
Santa Ana winds, 28
Satellite maneuvering, 702–704
Scale-up of batch reactor data, 144
Scavengers with active intermediaries, 341–342
Schmidt number
Searching
in nonlinear regression, 260–261
Second-order ODE solutions, 901
Second-order rate laws, 76
Second-order reactions, 73
batch reactor data analysis, 248
irreversible, 155
laminar flow reactors, 817–820
multiple steady states, 577
Second reactors in interstage cooling, 525–526
Secondary nutrients, 374
Segregation model
in maximum mixedness model, 820, 824
vs. maximum mixedness model, 829–830
multiple reactions in, 830–835
vs. T-I-S model, 852
zero-adjustable-parameter, 810–820
Selectivity
CSTRs, 308
liquid-phase reactions, 227, 308, 310
membrane reactors for, 225, 312–316
multiple reactions, 281–282, 285, 312–316
parallel reactions, 291
Selectivity
PBR gas phase reactions, 305
PFR complex reactions with heat effects, 590
semibatch reactors, 310
temperature effects on, 289
multiple reactions in, 656–660
unsteady-state operation, 227–233
Semiconductor fabrication
chemical vapor deposition in, 448–451
overview, 447
Separable kinetics in catalyst deactivation, 455, 463
Separating variables with pressure drop, 179
Separation systems, economic incentive for, 281
PFRs, 52
Series reactions, 280
mass transfer-limited reactions, 705
Seveso accidental release, 604
Shaft work in energy balance, 496
Shell balances on catalyst pellets, 723
Sherwood numbers
in mass transfer coefficient, 691–692
in mass transfer correlations, 702
Silicon dioxide for microelectronic devices, 447
Simplifications
rate data analysis, 244
triphenyl methyl chloride-methanol reaction, 254
Simpson’s one-third rule, 902
Simpson’s three-eighths rule, 902
Simpson’s three-point formula, 56
Single particles, mass transfer to, 693–697
Single-site mechanisms
rate-limiting in, 427–428, 435
surface reactions in, 416, 435
Site balance
adsorption isotherms, 411
cumene adsorption, 426
Sizing reactors. See Conversion and reactor sizing
Skewness in RTD moments, 779
Skin, nitrogen gas exposure to, 714
Slow reactions in mass transfer to single particles, 696–697
Small molecule synthesis, 366
Small-scale operations, 10
Soap, saponification for, 111–112
Socrates, 1
Sodium hydroxide in saponification, 111
Sodium in MCMT production, 661
Sodium thiosulfate, 574
Software packages. See also specific software packages by name
Aspen, 916
instructions, 903
MATLAB, 916
Solar energy
biochar gasification, 331
chemical storage, 103
field design, 330
Solid catalysts in PBRs, 18
Solvents from ethylene oxide, 185
Space satellite maneuvering, 702–704
in CSTR modeling, 878
in dispersion coefficient determination, 866
Spartan program, 335
Specialty chemicals, 212
and variable volumetric flow rate, 115–117
Specific rate of product formation, 372, 374–375
Specific reaction rate, 72, 83–93
Spectroscopic measurements, 435
Spheres, mass transfer coefficient for, 694–695
Spherical bacteria growth, 367
Spherical catalyst pellets, 720–721
differential equation for, 723–725, 729–730
effective diffusivity, 721–723
Spherical reactors, 196
Spread of distributions, 779
Square of the standard deviation, 779
Stability rates
CSTR unsteady-state operation, 651
propylene glycol production, 654–655
Stagnant film, diffusion through, 688–690
Standard deviation, 779
Standard temperature and pressure (STP) in space velocity, 61
Starch, hydrolysis of, 394
Stationary phase
substrate balance, 378
Steady-state bifurcation, 609
Steady state in CSTRs, 13
Steady-state molar flow rates, 502–504
Steady-state nonisothermal reactors, 493
adiabatic operation. See Adiabatic operations
CRE Web site material, 530–531
energy balance. See Energy balances
equilibrium conversion. See Equilibrium conversions
with heat exchange. See Flow reactors
information required for, 494–495
questions and problems, 531–536
supplementary reading, 536–537
Steady-state operation in chemostats, 382
Step tracer experiment, 775–777
Stern–Volmer equation, 340–342
Stirred reactors
CSTRs. See Continuous-stirred tank reactors (CSTRs)
unsteady-state operation
Stoichiometric coefficients
in conversion, 32
in relative rates of reaction, 71
acetic anhydride production, 557
adiabatic equilibrium temperature, 520
batch systems, 107–113, 145–146
butane isomerization, 513, 549–550
catalyst decay, 458
CRE Web site material, 133
CSTRs
with cooling coils, 573
single, 152
ethyl acetate saponification, 649
ethylene glycol production, 149, 158–159
ethylene oxide production, 186–187
gas-oil catalytic cracking, 470
glucose-to-ethanol fermentation, 379
isothermal reactors, 209
liquid phase, 310
MCMT production, 665
mean conversion, 818
membrane reactors, 222–223, 314
multiple reactions, 284, 314, 658
nitroaniline production, 642
nitrogen oxide production, 215
PBR gas phase, 306
PFRs
with heat effects, 546–547, 583–584, 590
propylene glycol production, 569, 635, 653
questions and problems, 133–138
reversible reactions and equilibrium conversion, 126–130
steady-state nonisothermal reactors, 494
straight-through transport reactors, 475
supplementary reading, 138
toluene hydrodemethylation reactors, 443–444, 446
triphenyl methyl chloride-methanol reaction, 254
tubular reactors
adiabatic, 510
STP (standard temperature and pressure) in space velocity, 61
Straight-through transport reactors (STTRs), 472–476
Streptomyces aureofaciens, 384
Stuart Prower factor, 303
Styrene from ethylbenzene, 220–221
Subscripts, 923
Substrates
and dilution rate, 383
enzyme-substrate complex, 344–346
inhibition by, 359, 361, 363–364
mass balances, 378
in Michaelis–Menten equation, 348–349, 355
microelectronic fabrication, 447
multiple systems, 385
Sulfonation reactions, 312
Sulfur dioxide
Sulfuric acid
DDT production, 6
ethylene glycol production, 192
professional reference shelf for, 609
Sums of squares
ethylene hydrogenation to ethane, 453
multiple reaction analysis, 317
nonlinear regression, 260, 263
Superficial mass velocity, 185
Supported catalysts, 402
Surface area
catalyst deactivation, 456–457
hydrazine decomposition, 703–704
mass transfer-limited reactions, 706
membrane reactors, 220
microreactors, 212
spherical catalyst pellets, 724
Surface-catalyzed reactions, 212
Surface-reaction-limited operations
cumene decomposition, 430
irreversible isomerization, 436
irreversible rate laws, 435
Surface reactions
microelectronic fabrication, 447
packed bed transfer-limited reactions, 751
toluene hydrodemethylation, 439–440
Surfaces
in effectiveness factor, 739–740
in mass transfer to single particles, 695
metallic, 712
Surfactants from ethylene oxide, 185
Sweetland, Ben, 845
Swimming rate of small organisms, 760
Switch grass, 330
Synthesizing chemical plant design, 190–192
System volume in mole balance equation, 8
Szent–Gyorgyi, Albert, 539, 719
T
T2 Laboratories explosion, 604, 660–668
Tails
fitting, 801
in pulse input experiment, 775
Tanks-in-series (T-I-S) models
vs. dispersion models, 869
one-parameter, 847
vs. segregation model, 852
Taylor series for energy balance, 565
Temperature, 493. See also Heat effects
adiabatic operations in batch reactors, 638–639
in adsorption, 412
in cell growth, 371
conversion factors, 906
in CSTRs, 13
in enzymatic reactions, 356
in flow reactors with variable volumetric flow rate, 116
in internal effectiveness factor, 733–734
in mass transfer correlations, 700
in mass transfer to single particles, 695
nonisothermal reactors
steady-state. See Steady-state nonisothermal reactors
unsteady-state. See Unsteady-state nonisothermal reactors
selectivity affected by, 289
Temperature-concentration phase planes, 651
Temperature-time trajectories, catalyst deactivation of, 465–467
Tenebrionid beetles, 100
Terephthalic acid (TPA), 326–327
Termination step in chain reactions, 343
Termolecular reactions, 70
Testing new processes, batch reactors for, 10
Thermal decomposition of isopropyl isocyanate, 278
Thermal diffusivity in mass transfer coefficient, 691
Thermodynamic equilibrium constant, 80, 909–914
Thermodynamically limited reactions, 217
Thermodynamics
equilibrium conversion from, 521
in reversible reactions, 83
Thiele modulus
in falsified kinetics, 737
in internal effectiveness factor, 731–737
in spherical catalyst pellets, 726–728
Third-order reactions, 73
flow through packed beds, 700
hydrazine decomposition, 703–704
Mears criterion, 744
nitrous oxide reductions, 749
Three-eighths rule, 902
Three-point rule, 902
Thrombin in blood clotting, 303
Thrusters, monopropellant, 702–704
Tic-Tac module, 236
Time
concentration, 246
in energy rate change, 907
in growth rates, 371
Time order of magnitude in batch systems, 147
Tissue factor in blood clotting, 302–303
TOF (turnover frequency), 404
Toluene
hydrodemethylation of, 79, 437–446
from methylcyclohexane, 489
para-xylene from, 401
Tortuosity in effective diffusivity, 721–723
Total concentrations in flow reactors, 121
Total cycle time in batch systems, 147
Total energy in first law of thermodynamics, 495
Total enzyme concentration, 346–348
Total mass, 5
Total molar flow rate
Total volume
PFRs in series, 52
Toxic intermediates, 212
TPA (terephthalic acid), 326–327
Tracers
CSTR parameter modeling, 873–877, 879–880
dispersion coefficient determination, 862–863
pulse input experiment, 773
step tracer experiment, 775–777
T-I-S model, 849
Trains of reactors with interstage heating, 536
Transfer. See Mass transfers
Transferases enzymes, 346
Transition state theory, 97
Transition states and energy barriers, 85
Transport
with catalysts, 405
in membrane reactors, 220, 222, 314
Trapezoidal rule, 901
Trial and error method, 880
Trickle bed reactors, 752, 756
Triethanolamine formation, 280
Triphenyl methyl chloride, 254–258
Trityl-methanol reaction, 249–251
corrosion, 100
isothermal reactors, 200
Truman, Harry S, 493
Tubes
in microreactors, 212
in pressure drop, 185
Tubular reactors, 14–18, 202–203
gas-phase reactions, 14, 163–165
hemoglobin deoxygenation in, 275
balance equations, 854
dispersion coefficient correlation, 860–862
dispersion coefficient determination, 862–866
plug-flow. See Plug-flow reactors (PFRs)
radial and axial variations, 595–596
space time in, 59
Turbulent diffusion, 852
Turbulent flow
packed bed pressure drop, 176
Turnover frequency (TOF), 404
Turnover number in Michaelis–Menten equation, 348
Two parameter models for nonideal reactors, 808, 846, 848, 871–873
Two-point rule, 901
Tyrosinase, 344
U
Ultraformers, 196
Ultrasonic waves, light from, 340–342
Unbound enzyme concentration, 346
Uncompetitive inhibition, 359–361
Underground wet oxidation problem, 926
Undesired products in multiple reactions, 281
Uniform surfaces, adsorption in, 415
Unimolecular reactions, 70
Units, conversion factors for, 906–907
Unstable steady-state temperatures, 579–580
Unsteady-state nonisothermal reactors, 629
batch reactors
with interrupted isothermal operation, 639–646
CRE Web site material, 670–671
mole balances, 631
questions and problems, 671–677
Unsteady-state operation of stirred reactors, 225–233, 651–656
Unsteady-state tracer balance, 862–863
Unsupported catalysts, 402
Unwanted products in parallel reactions, 291–292
batch reactor calculations, 354–356
Michaelis–Menten equation, 348–354
User-friendly form of energy balance, 633
V
Vacant sites in cumene adsorption, 426
Van de Vusse kinetics, 321
Vanadium oxides, 488
Vanadium triisopropoxide (VTIPO), 488
van’t Hoff’s equation, 910
Vapor-phase reactions, irreversible endothermic, 534
Variable heat capacities, 530
Variable temperature in energy balance, 500
Variable volume in gas phase flow systems, 115–126
Variable volumetric flow rate, 115–126
Variance
in ethylene hydrogenation to ethane, 453–454
Vat reactors. See Continuous-stirred tank reactors (CSTRs)
fluid in mass transfer to single particles, 697
Velocity profiles in tubular reactors, 848, 858
Venkatesan, R., 701
Venting in MCMT production, 664
Vermont Safety Information Resources, Inc. (Vermont SERI), 162
Vessel boundary conditions
dispersion coefficient determination, 864–866
Vessel dispersion number, 855
Vibrational energy, 334
Viscosity
conversion factors for, 906
of helium, 702
in mass transfer coefficient, 691
Visual Encyclopedia of Equipment, 26
Volume. See Reactor volume
Volume-average particle diameter, 703
Volume change with reaction, 733
Volumetric feed rate in chemostats, 381
Volumetric flow, 114
differential reactors, 264
ethylene oxide production, 188
pulse input experiment, 771
T-I-S models, 850
tubular reactors, 165
VTIPO (vanadium triisopropoxide), 488
W
Wafer fabrication
chemical vapor deposition in, 448–451
overview, 447
Wash-out in cell growth, 383–384
Washington, Booker T., 69
Water
Water-gas shift reaction, equilibrium constant in, 912–914
Watson, K. M., 419
Web sites for rate law data, 919
Weber, M., Jr., 769
Weighted least squares analysis, 273
Weisz–Prater criterion, 734–735
Wen, C. Y.
on RTD moments, 778
on tracer techniques, 777
Wet oxidation problem, 926
“What if” conditions for mass transfer coefficients, 705–709
Wooden, John, 31
Work, conversion factors for, 906
Work term in energy balance, 496–498
X
Y
Yeasts, 393
doubling times, 371
growth of, 367
Yields
in bioconversions, 365
in multiple reactions, 282
series reactions in batch reactors, 297
Z
Zeolite catalysts, 401
Zero-adjustable-parameter models
maximum mixedness model, 820–826
multiple reactions in, 830–835
questions and problems, 837–842
software packages for, 827–830
supplementary reading, 842–843
Zero-order reactions, 73, 247–248
Zewail, Ahmed, 335
Zwietering, T. N., 810