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1051
Index
A
Abia, S., 425Accumulation in bioreactors, 435Acetaldehyde
in alcohol metabolism, 441–445decomposition of, 378from ethanol, 321–324ethanol from, 418pyrolysis of, 456
Acetic acid production, 608–614Acetic anhydride
cytidine reaction with, 912–914production of, 504–505
adiabatic operation, 505–508PFR with heat exchange for,
508–510variable ambient temperature
for, 510–511Acetylation reactions, 216Acetylene production, 370Acrolein formation, 392Activation energies
in acetic acid production, 611–612
ARSST for, 605barrier height for, 93and bond strength, 97–98determination of, 95–97in rate laws, 85and reaction coordinates, 92
Active intermediates, 377–379chain reactions in, 386–391for enzymatic reactions, 394mechanism searches in,
383–386
PSSH in, 379–383reaction pathways in, 391–394summary, 447–449
Active learners, 1047Active sites
in catalysts, 650–651, 661–662in enzymes, 395–396
Adenosene diphosphate (ADP)from adenosine triphosphate,
858–859in biosynthesis, 420
Adenosine triphosphate (ATP)adenosine diphosphate from,
858–859in biosynthesis, 420
ADH (alcohol dehydrogenase), 412, 418, 466–467
Adiabatic operationsin acetic anhydride production,
505–508batch reactors, 594–598butane liquid-phase isomeriza-
tion, 62–65CSTRs, 526–531energy balance of, 478–479
batch reactors, 594–598equilibrium temperature,
514–515in steady-state nonisothermal
design, 486–487tubular reactors, 488
exothermic irreversible gas-phase reactions, 75–76
in nitroanaline production, 603propylene glycol production in,
526–531, 595–598
temperature and equilibrium conversion, 512–520
tubular reactors, 487–495Adjustable parameters for nonideal
reactors, 946ADP (adenosene diphosphate)
from adenosine triphosphate, 858–859
in biosynthesis, 420Adsorption, 650
of cumene, 672–677in CVD, 701–703dissociative, 287, 662, 664–665,
702equilibrium constant, 663isotherms, 661–666rate constant, 663in toluene hydrodemethylation,
691Advanced Reaction System
Screening Tool (ARSST), 605–608
in acetic acid production, 608–614
in reaction orders, 638–640Aerobic organism growth, 421Aerosol reactors, 232–233, 235Affinity constant in Michaelis-
Menten equation, 400Aging in catalyst deactivation,
650, 709–712Air bags, 133–134Air pollution, 32–33, 392Alcohol dehydrogenase (ADH),
412, 418, 466–467Alcohol metabolism, 393–394, 441
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1052
Index
Alcohol metabolism (
cont.
)central compartment in, 443G.I. tract component in, 443liver compartment in, 444–445model system for, 441–442problem for, 1041–1042stomach in, 442–443
Algorithmscomplex reactions, 327
mole balances, 327–328net rates of reaction, 329–334stoichiometry, 334–335
CRE problems, 146data analysis, 254–255ethylene glycol production, 154vs. memorizing, 144
Aliphatic alcohol, 385Alkenes, ozone reactions with, 298Alkylation reactions, 652–653Alpha order reactions, 83Alumina-silica catalyst, 741–742Amino acids
in chymotrypsin enzyme, 395synthesis of, 420
Ammoniafrom hydrogen and nitrogen,
670–671nitroanaline from, 599–605oxidation of, 351–355production of, 747–748from urea, 406–407
Ammonolysis, 216Amylase, 395Analytical solution for pressure
drop, 181, 185–195Anseth, Kristi, 823Antibiotics
coating on, 807–808production of, 419, 423
Antifreezefrom ethylene glycol, 163from ethylene oxide, 191
Antithrombin, 326Apoenzymes, 418Apparent reactions
in azomethane decomposition, 381
in falsified kinetics, 833–834in kinetic rate law, 87
Approximationsin ethylene glycol production,
153in segregation model, 909
Aqueous bromine, photochemical decay of, 297–298
ARA (attainable region analysis), 360–361
Area balance in CVD, 702Aris-Taylor analysis for laminar
flow, 975–978Aris-Taylor dispersion
in dispersion model, 955in tubular reactors, 963–964
Arrhenius equation, 92, 95, 98Arrhenius temperature depen-
dence, 407ARSST (Advanced Reaction Sys-
tem Screening Tool), 605–608
in acetic acid production, 608–614
in reaction orders, 638–640Arterial blood
in capillaries, 295in eyes, 898
Artificial kidneys, 397-ase suffix, 395Aspen program, 194
explanation of, 1031instructions for, 1015
Aspirin, 409Assumptions
in ethylene glycol production, 153
in tubular reactor radial and axial variations, 559
Asymmetric distributionin maximum mixedness model,
932in segregation model, 931
Atomsin diffusion, 758in reaction, 80
ATP (adenosine triphosphate)adenosine diphosphate from,
858–859in biosynthesis, 420
Attainable region analysis (ARA), 360–361
Autocatalytic growth, 74–75Autocatalytic reactions, 421Automobiles
emissionsnitrogen oxides in, 298–299,
742–743in smog formation, 32–33,
392–393green gasolines, 584
Average molar flux in diffusion, 774
Axial diffusion, 781Axial dispersion
in dispersion model, 955in packed beds, 844
Axial variations in tubular reac-tors, 551–561
Ayen, R. J., 747Azomethane decomposition,
ethane and nitrogen from, 379–383
B
Back-of-the-envelope calcula-tions, 788
Backmix reactors.
See
Continuous-stirred tank reactors (CSTRs)
Bacteria, 418.
See also
Cellsin batch reactors, 432–434in cell growth, 421–423in enzyme production, 394in ethanol production, 240predictor prey relationships in,
464in yogurt postacidification, 459
Bailey, J. E., 421Balance dispersion, 957Balance equations in diffusion,
769–770Balance in CSTRs, 980Balance on A in semibatch reac-
tors, 220Balance on coolant in tubular reac-
tors, 499–511Balance on hydrogen in membrane
reactors, 209–210, 212Balance on reactor volume in
CSTR parameter modeling, 984
Bartholomew, C., 713, 715Basis of calculation in conver-
sions, 38Batch reactors
adiabatic operation of, 594–598bacteria growth in, 432–434bioreactors, 431catalyst sintering in, 711–712concentration equations for,
102–103constant-volume, 103–106cylindrical, 138data analysis methods, 256–257
differential, 257–266integral, 267–271nonlinear regression, 271–277
design equations for, 38–40, 99energy balance of, 477, 594–598enzymatic reaction calculations,
404–407
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Index
1053
evaluation of, 290–291with interrupted isothermal
operation, 599–605journal critique problems, 250mean conversion in, 910, 913mole balances on, 10–12
in design equations, 39enzymatic reactions, 404gas phase, 200–202integral data analysis, 267liquid phase, 200
RTDs in, 885–886space time in, 67stoichiometry in, 100–106with variable volume, 109–111
Batch-type experiments, 6Bed fluidicity in hydrazine decom-
position, 788Benzene
adsorption of, 676catalysts in production of, 647from cumene, 5from cyclohexane, 804–805desorption of, 675, 678–680ethylbenzene from, 652–653in Langmuir-Hinshelwood
kinetics, 672in reversible reactions, 89–90from toluene, 87, 688–698
Benzene diazonium chloride, decomposition of, 95
Berra, Yogion observation, 253on questions, 29on termination, 757
Berzelius, J., 645–646Best estimates of parameter values
in nonlinear regression, 273
Beta order reactions, 83Bifurcation problems, 567, 588Bimodal distributions, 932Bimolecular reactions, 80Binary diffusion, 760–765Bioconversions, 419Biomass reactions
in biosynthesis, 419in nonisothermal reactor design,
577–578, 637–638in reaction rate law, 86
Biomedical engineering, RTDs for, 898
Bioprocessing design problem, 1040
Bioreactors, 418–420autocatalytic growth in, 74–75cell growth in, 422–423
chemostats, 137, 434–435design equations for, 435–436journal critique problems, 250,
469mass balances in, 431–434oxygen-limited growth in,
438–439rate laws in, 423–425scale-up in, 439stoichiometry in, 426–430summary, 447–449supplementary reading for, 470wash-out in, 436–438
Biosynthesis, 418–419Birth control patches, 772Bischoff, K. B., 960Blindness from methanol, 412,
466–467Blood coagulation, 325–326, 362,
370Blood detoxification, 898Blood flows
in alcohol metabolism, 442in capillaries, 295in pharmacokinetic models,
440Blowout velocity in multiple
steady states, 539Bodenstein number
in dispersion and T-I-S models, 974
in tubular reactors, 958Boltzmann’s constant, 1017Bomb calorimeter reactors
constant-volume reactors, 103for reaction rate data, 40
Bond distortions in reaction systems, 93–94
Bondingfor enzyme-substrate complex,
396in interstage cooling, 519
Bonding strengthand activation energies, 97–98catalysts in, 653
Boundary conditionscartilage forming cells, 825–826catalyst carbon removal, 795diffusion, 659, 765, 768, 771,
773, 819, 822dispersion coefficient determina-
tion, 967–970dispersion models, 1032mass transfer to single particles,
778, 780maximum mixedness model,
918–922
spherical catalyst pellets, 819, 822
tubular reactors, 557, 560, 958–962
Bounded conversions in nonideal reactors, 946
Brenner, H., 963Briggs-Haldane Equation, 404Bromine cyanide in methyl bro-
mide production, 220–223Bubble residence time, 869Bulk concentration
in diffusion and reaction, 838in mass transfer to single parti-
cles, 778Bulk density
in packed bed flow, 179in pressure drop, 188
Bulk diffusivity, 815Bulk flow term in diffusion, 767Bulk phase, diffusion in, 770Burns, Mark, 408Butadiene
from ethanol, 306for synthetic rubber, 654
Butanebutene from, 211from cyclobutane, 379from ethane, 387isomerization of, 62–64,
490–495, 497–499Butanol dehydration, 741–742Butene from butane, 211Butt, J. B., 707Butyl alcohol (TBA), 740Bypassing
in CSTRs, 893–894, 979–985, 988–990
in tubular reactors, 895–896
C
C curvesin pulse input experiment,
871–876in single-CSTR RTDs, 887
Cajun seafood gumbo, 1040–1041Calcium magnesium carbonate,
dissolution in hydrochloric acid, 278
Calculationsback-of-the-envelope, 788for enzymatic reactions,
404–407for propylene glycol production,
528
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1054
Index
CalorimetersARSST, 605–614bomb, 40, 103
Cape, E. G., 898Capillaries, arterial blood in, 295Carbon dioxide
in acetaldehyde formation, 321–324
from spartanol, 751–752from urea, 406–407
Carbon disulphide, 805Carbon monoxide
adsorption of, 662–664methane from, 284–288
Carbon removal in catalyst regen-eration, 793–797
Cartilage forming cells, 823–827Cascades of CSTRs, 23Catalysts and catalytic reactors,
645adsorption isotherms, 661–666benzene rate-limiting, 678–680carbon removal in, 793–797catalysis, 646–647CD-ROM material, 736–738classification of, 652–655cracking, 725–728deactivation of, 650, 707–709
by coking and fouling, 712–713
empirical decay laws in, 716–720
in moving-bed reactors, 722–728
by poisoning, 713–716by sintering, 709–712in STTRs, 728–732temperature-time trajectories
in, 721–722definitions, 646–647desorption, 668–669for differential reactors,
281–282diffusion in
from bulk to external trans-port, 658–659
differential equation for, 816–819, 822–823
dimensionless form, 819–822effective diffusivity in,
814–816through film, 766–770internal, 660–661for tissue engineering,
823–827in ethylene oxide production,
195
heterogeneous data analysis for, 688–689
mechanisms in, 691–692rate laws in, 689–690,
692–694reactor design, 693–698
in heterogeneous reactions, 88journal critique problems,
753–755membrane reactors, 207–208in microelectronic fabrication,
698–700Chemical Vapor Deposition
in, 701–704etching in, 700
model discrimination in, 704–707
in moving-bed reactors, 722–728
properties of, 648–652questions and problems,
738–753rapid reactions on, 776–780rate laws, 671–674
deducing, 689–690derived from PSSH,
684–687evaluating, 692–694temperature dependence of,
687–688rate-limiting, 669–674, 677–680reforming, 681–685regeneration of, 793–797shell balance on, 816steps in, 655–671summary, 733–736supplementary reading, 755–756surface reaction in, 666–668weight
ethylene oxide, 191heterogeneous reactions, 6membrane reactors, 209PBR, 45, 179with pressure drop, 186–190
Catalytic afterburners, 714Catalytic dehydration of methanol,
742CD-ROM material
active intermediates, enzymatic reactions, pharmacokinetic models, and bioreactors, 449–453
catalysts, 736–738components, 1043–1045conversion and reactor sizing,
71–72diffusion, 801–802, 852–855
isothermal reactor design, 231–234
for learning styles, 1046–1047mole balances, 26–29multiple reactions, 359–361navigating, 1045–1046nonideal reactors, 994–995nonisothermal reactor design
steady-state, 566–588unsteady-state, 630–632
open-ended problems, 1039–1042
rate data collection and analysis, 293–294
rate laws and stoichiometry, 126–130, 139–140
RTDs, 934–935Cells
cartilage forming, 823–827growth and division, 420–423
chemostats for, 137, 434–435design equations for, 435–436and dilution rate, 437Luedeking-Piret equation,
429mass balances in, 431–434oxygen-limited, 438–439rate laws in, 423–425, 428stoichiometry in, 426–430wash-out in, 436–438
reactions in, 419–420as reactors, 31
Centers in catalysts, 650–651Central compartment in alcohol
metabolism, 443Cereals, nutrients in, 245Cerius program, 379, 1049Chain reactions, 386–391Chain rule for diffusion and reac-
tion, 819Chain transfer step, 386Channels and channeling
in microreactors, 201in tubular reactors, 895–896
Characteristic reaction times in batch operation, 151
Chemical production statistics, 31–32
Chemical reaction engineering (CRE), 1–3
Chemical species, 4–5Chemical Vapor Deposition (CVD)
in diffusion, 849–852in microelectronic fabrication,
701–704professional reference shelf for,
854–855
fogler.book Page 1054 Thursday, July 21, 2005 11:48 AM
Index
1055
Chemisorption, 650, 661Chemostats, 137, 434–435Chesterton, G. K., 645Chipmunk respiration rate, 805Chirping frequency of crickets,
132Chloral in DDT, 6Chlorination
in membrane reactors, 347in semibatch reactors, 216
Chlorobenzenefrom benzene diazonium chlo-
ride, 95in DDT, 6
Churchill, Winston, 1006Chymotrypsin enzyme, 395Classes of cell reactions, 420Clinoptilolite in toluene hydro-
demethylation, 688–698Closed-closed boundary conditions
in dispersion coefficient deter-mination, 967
in tubular reactors, 959–961Closed systems, first law of ther-
modynamics for, 473Clotting of blood, 325–326, 362,
370CMRs (catalytic membrane reac-
tors), 207–208Co-current flow in tubular reactors,
500–501Coagulation of blood, 325–326,
362, 370Coal
gasification, 103liquefaction, 369–370
Cobalt-molybdenum catalyst, 740–741
Cobra bites, 363Cocci, growth of, 421Coenzymes, 418Cofactors, enzyme, 418Coking in catalyst deactivation,
650, 712–713Colburn J factor
in hydrazine decomposition, 787–788
in mass transfer correlations, 784–785
Collision rate in adsorption, 662Collision theory, 84
active intermediates in, 378professional reference shelf for,
128in reaction systems, 93
Combination stepacetaldehyde formation, 322
acetic acid production, 610ammonia oxidation, 354butane isomerization, 490catalyst decay, 719catalyst sintering, 711complex reaction algorithms,
328CSTRs
batch operation, 149–150catalyst decay, 719with cooling coils, 531second-order reaction in,
162single, 157
ethylene glycol production, 154, 165
ethylene oxide production, 192–193
gas phase, 202glucose-to-ethanol fermenta-
tion, 433laminar flow reactors mean con-
version, 913membrane reactors
flow and reaction in, 213in multiple reactions, 350
mesitylene hydrodealkylation, 342
mole balance design, 199moving-bed reactor catalytic
cracking, 726net rates of reaction, 332–334nitroanaline production, 601nitrogen oxide production, 206nonisothermal reactor design,
472PFR reactor volume, 146–147pressure drop
in isothermal reactor design, 176
in tubular reactors, 186propylene glycol production,
528, 596triphenyl methyl chloride-meth-
anol reaction, 262tubular reactors
adiabatic, 488flow in, 169–170, 173
Combinationsin CSTR parameter modeling,
984CSTRs and PFRs in, 60–64and species identity, 5
Company chemical production sta-tistics, 32
Competing reactions, 305–306Competitive inhibition, 410–412
Complete segregation in RTD reactor modeling, 903
Completely segregated fluids in segregation model, 904
Complex reactions, 305–306algorithms for, 327
mole balances, 327–328net rates of reaction, 329–334stoichiometry, 334–335
ammonia oxidation, 351–355Compressibility factors
in batch reactor state equation, 109
in flow systems, 111Compression of ultrasonic waves,
384–386Compression ratio and octane
number, 682Concentration surfaces for laminar
flow, 978Concentration-time data
in batch reactors, 256in nonlinear regression,
273–275Concentrations and concentration
profilesactive site balances, 661ammonia oxidation, 353–354batch reactor data analysis,
267–268catalyst carbon removal, 796complex reaction algorithms,
334–335CSTRs, 13differential reactors, 283diffusion, 762–764, 768, 816,
820, 822dilution, 437dispersion model, 956enzyme, 398–399flow systems, 107, 111–112
key reactants, 115–117liquid-phase, 108species, 112–113
isothermal reactor design, 198–199
laminar flow, 978mass transfer
correlations, 784to single particles, 778
methane production, 285–286with pressure drop, 185rate data analysis, 254–255semibatch reactors, 224spherical catalyst pellets, 812,
816, 820, 822T-I-S model, 952
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1056
Index
Concentrations and concentration profiles (
cont.
)toluene hydrodemethylation,
692tubular reactors, 959
Condensation reactions, 130Confidence limits in nonlinear
regression, 273Configuration in chemical
species, 4Consecutive reactions, 306Constant heat capacities in
enthalpy, 483Constant-volume batch systems,
40, 103–106, 257Constant-volume decomposition of
dimethyl ether, 297Constant volumetric flow for dif-
ferential reactors, 283Constriction factor in effective
diffusivity, 815Continuous-flow systems, 106
design equation applications, 45–54
in mole balance, 12–21reactor time in, 40RTDs, 868–870
Continuous-stirred tank reactors (CSTRs), 12–14
in butane isomerization, 494bypassing in, 893–894,
979–985, 988–990cascades of, 23catalyst decay in, 717–720conversion in, 973with cooling coils, 531–532dead space in, 979–985,
988–990design, 14, 156–157
design equations for, 43–44, 99
parallel, 160–162scale-up in, 148–156second-order reaction in,
162–168series, 158–160single, 157–158
diagnostics and troubleshoot-ing, 892–895
energy balance of, 476–477, 523, 531–532, 548–551, 620
in equilibrium equation, 123for ethylene glycol, 152–156evaluation of, 291fluidized-bed reactors as, 24with heat effects, 522–532
for liquid-phase reactions, 12–13, 21–22
mass balances in, 431mean conversion in, 907–910mesitylene hydrodealkylation in,
344–347modeled as two CSTRs with
interchange, 985–987mole balances on, 43, 200–202multiple reactions, 343–347,
548–551nonideal reactors using,
990–991parallel reactions, 160–162,
165–167, 314–317propylene glycol production in,
526–531RTDs in, 868–870, 887–888,
892–895, 897–901runaway reactions in, 540–543in series, 55–58
design, 158–160, 166–167with PFRs, 60–64RTDs for, 897–901sequencing, 64–66
sizing, 48–50, 53–54space time in, 67unsteady-state operation of
energy balance of, 477startup, 216–217, 619–622steady state falloff in,
622–624Convection
in diffusion, 763–765mass transfer coefficient in,
774–776in tubular reactors, 958, 963
Convective-diffusion equation, 963Conversion and reactor sizing,
37–38batch reactors, 38–40CD-ROM material, 71–72continuous-flow reactors, 45–54conversion definition, 38equilibrium.
See
Equilibrium conversions
flow reactors, 40–45, 112, 117–123
mean conversionin laminar flow reactors,
912–914in real reactors, 910–912in segregation model,
906–910PBRs, 20with pressure drop, 185, 187questions and problems, 72–77
rate laws in, 98–99reactors in series, 54–66space time, 66–67space velocity, 68–69summary, 69–71supplementary reading, 77
Conversion bounds in maximum mixedness model, 918–922
Conversion factors for units, 1018–1019
Cookingpotatoes, 134seafood gumbo, 1040–1041spaghetti, 236
Coolant balancein steady-state tubular reactors,
499–511in tubular reactors, 556
Coolant flow rate in interstage cooling, 518
Coolant temperaturein energy balance, 478in semibatch reactors, 614–619in steady-state tubular reactors,
501Cooling coils in CSTRs, 531–532Cooling jackets in tubular reactors,
560Coordinates, reaction, 92Corn starch, 395Correlations
dispersion coefficient, 964–966mass transfer, 774–776,
783–785Corrosion of high-nickel stainless
steel plates, 132–133Costs
in ethylene glycol production, 196–198
of Pfaudler CSTRs/batch reactors, 22
Counter current flow in tubular reactors, 501–502
Counterdiffusion, equimolar, 762Cracking
catalytic, 725–728thermal, 387–392
CRE (chemical reaction engineer-ing), 1–3
Creativity in reactor selection, 992Cricket chirping frequency, 132Critiquing journal articles.
See
Journal critique problems
Crystals in microelectronic fabri-cation, 698
CSTRs.
See
Continuous-stirred tank reactors (CSTRs)
fogler.book Page 1056 Thursday, July 21, 2005 11:48 AM
Index
1057
Cumeneadsorption, 672–677decomposition, 5, 680–681in Langmuir-Hinshelwood
kinetics, 672Cumene hydroperoxide, 751Cumene rate law, 678–680Cumulative distribution function,
878Curie, Marie, 867CVD (Chemical Vapor Deposition)
in diffusion and reaction, 849–852
in microelectronic fabrication, 701–704
professional reference shelf for, 854–855
Cyanide as enzyme inhibitor, 409Cyclobutane, butane from, 379Cyclohexane, benzene and hydro-
gen from, 647, 804–805Cyclohexanol, 744–745Cylindrical batch reactors, 138Cylindrical pellets, 786–787Cytidine, acetic anhydride reaction
with, 912–914Cytoplasm, 419Czochralski crystallizers, 698
D
Damkohler numbersin CSTRs
parallel, 165second-order reaction, 162series, 160, 166single, 158
in moving-bed reactor catalytic cracking, 727
in segregation model, 907, 909in tubular reactors, 958, 961
Danckwerts, P. V.on boundary conditions in tubu-
lar reactors, 961on maximum mixedness, 922on RTDs, 870on segregation model, 904
Danckwerts boundary conditionsin diffusion and reaction, 765in dispersion coefficient deter-
mination, 967in dispersion models, 1032in tubular reactors, 960–961
Darcy’s Law, 349Data acquisition for differential
reactors, 281
Data analysis.
See
Rate data col-lection and analysis
DBP (dibutyl phthalate) produc-tion, 237–238
DDT (dichlorodiphenyl-trichloro-ethane) production, 6
Deactivation of catalysts, 650, 707–709
by coking and fouling, 712–713
empirical decay laws in, 716–720
in moving-bed reactors, 722–728
by poisoning, 713–716by sintering, 709–712in STTRs, 728–732temperature-time trajectories in,
721–722Dead volume
in CSTRs, 894–895, 979–985, 988–990
in tubular reactors, 896–897Dead zones, 869Dealkylation reactions, 652–653Dean, A. R. C., 425Death by alcohol poisoning, 444Death phase in cell growth, 423Death rate in winemaking, 425Decay laws for catalysts, 708–709
in cracking, 725–726in CSTRs, 718in deactivation, 716–720in sintering, 711in STTRs, 730–732
Decomposition in reactions, 5Degree of segregation in maximum
mixedness model, 922Degrees of freedom, vibrational,
378Dehalogenation reactions, 655Dehydration reactions, 654,
741–742Dehydrogenation reactions, 211,
653–654Delivery rate, transdermal drug,
772Denatured enzymes, 396, 407Deoxygenation of hemoglobin,
295Deoxyribonucleic acid (DNA)
identification, 408–409in protein production, 419–420
Design and design equationsfor batch reactors, 38–40, 99for bioreactors, 435–436in catalyst sintering, 711
for continuous-flow reactors, 45–54
for CSTRs, 14, 156–157design equations for, 43–44,
99parallel, 160–162second-order reaction in,
162–168series, 158–160single, 157–158
in ethylene glycol production, 164
in moving-bed reactor catalytic cracking, 726
in propylene glycol production, 528, 596
for toluene hydrodemethylation reactors, 694–695
Desired productsin multiple reactions,
307–309in parallel reactions, 311–317in series reactions, 320–326
Desorption, 665, 668–669of benzene, 675, 678–680in toluene hydrodemethylation,
691Detoxification, blood, 898Diameter of tubes in pressure
drop, 190Dibutyl phthalate (DBP) produc-
tion, 237–238Dichlorodiphenyl-trichloroethane
(DDT) production, 6Diethanolamine formation, 306Differential forms and equations
in batch reactors, 40, 257–266for diffusion in pellets,
816–819, 822–823of Ergun equation, 180in ethylene oxide production,
191in isothermal reactor design,
176ODE solvers for.
See
ODE (ordinary differential equa-tion) solvers
of PBRs, 19, 45, 168, 255of PFR mole balance, 15–16solutions to, 1012–1013in triphenyl methyl chloride-
methanol reaction, 265in tubular flow reactor design
equations, 44Differential reactors, rate data col-
lection and analysis in, 281–288
fogler.book Page 1057 Thursday, July 21, 2005 11:48 AM
1058
Index
Differentiation, equal-area graphical, 263, 1010–1011
Diffusion, 757, 813–814binary, 760–765boundary conditions in, 659,
765, 768, 771, 773, 819, 822
from bulk to external transport, 658–659
with catalysts, 658–661, 766–770, 814
differential equation for, 816–819, 822–823
dimensionless form, 819–822effective diffusivity in,
814–816for tissue engineering,
823–827CD-ROM material, 801–802,
852–855Chemical Vapor Deposition in,
849–852convection in, 763–765definitions, 758–759diffusion- and reaction-limited
regime estimation in, 838–842
in dispersion model, 955external resistance to mass
transfer inexample, 783–788mass transfer coefficient in,
771–776mass transfer-limited reac-
tions, 780–783mass transfer to single parti-
cles, 776–780falsified kinetics in, 833–835Fick’s first law in, 760–761through film, 766–770forced convection in, 763–764fundamentals, 758internal, 660–661internal effectiveness factor,
827–833journal article problems, 863journal critique problems,
809–810, 863–864limiting situations for, 848–849mass transfer in packed beds,
842–848Mears’ criterion for, 841–842modeling with, 771molar flux in, 758–760,
764–765multiphase reactors in,
849–850
operating condition changes in, 783–788
overall effectiveness factor in, 835–838
in pharmacokinetics, 798–799questions and problems,
802–810, 855–863shrinking core model, 792–799through stagnant film, 762, 774summary, 800–801, 851–852supplementary reading,
810–811, 865–866temperature and pressure depen-
dence in, 770for transdermal drug delivery,
772Digital-age problems, multiple
reactions for, 356–357Dilute concentrations in diffusion,
762–763Dilution rate
in bioreactors, 435–436in chemostats, 434in wash-out, 437
Dimensionless cumulative distribu-tions, 890–891
Dimensionless groups in mass transfer coefficient, 774
Dimerize propylene, 60–61Dimethyl ether (DME)
decomposition of, 297from methanol, 742
Diphenyl in reversible reactions, 89–90
Dirac delta functionin PFR RTD, 886in step tracer experiment, 877
Disappearance of substrate, 400, 431–432
Disappearance rate, 5–6Disguised kinetics, 833–835Disk rupture in nitroanaline pro-
duction, 605Dispersion
of catalysts, 651FEMLAB for, 975–978, 1032one-parameter models, 947in packed beds, 966vs. T-I-S models, 974in tubular reactors, 955–957,
961–966, 971–973Dispersion coefficient
experimental determination of, 966–970
tubular reactors, 964–966Dissociative adsorption, 287, 662,
664–665, 702
Distortions in reaction systems, 93–94
Divide and be conquered case, 789Diving-chamber experiment, 804Division of cells, 420–423DME (dimethyl ether)
decomposition of, 297from methanol, 742
DNA (deoxyribonucleic acid)identification, 408–409in protein production, 419–420
Dolomite dissolution, 278Donovan, Robert J., 757Doubling times in growth rates,
425Drinking and driving, 364Drug therapy
competitive inhibition in, 410transdermal delivery systems,
772Dry etching, 700Dual sites
irreversible surface-reaction-lim-ited rate laws in, 684
surface reactions in catalysts, 667–668
Dwidevi, P. N., 785
E
E. coli production, 466E curves
in normalized RTD function, 884–885
in pulse input experiment, 872–873, 875
in RTD moments, 882Eadie-Hofstee plots, 403East Texas light gas oil, 712–713Economic decisions and incentives
in irreversible gas phase cata-lytic reactions, 749
for parallel reactions, 316for separations systems, 307
Edwards. D. A., 963Effective diffusivity, 855
in catalyst carbon removal, 795in spherical catalyst pellets,
814–816Effective transport coefficient, 778Effectiveness factor
in diffusioninternal, 827–833, 839–841overall, 835–838
in nitrous oxide reductions, 846–848
fogler.book Page 1058 Thursday, July 21, 2005 11:48 AM
Index
1059
Efficient parallel reactor schemes, 310
Electrical heating rate with calo-rimeters, 607
Electronics industry, microelec-tronic fabrication, 299–300, 698
Chemical Vapor Deposition in, 701–704
etching in, 700Elementary rate laws, 82–86Elementary reactions, 84, 662Eley-Rideal mechanism, 681
irreversible surface-reaction-lim-ited rate laws in, 684
in surface reactions in catalysts, 668
Elution, 878EMCD (equimolar counterdiffu-
sion)in binary diffusion, 762in spherical catalyst pellets, 817
Emissions, automobilenitrogen oxides in, 298–299,
742–743in smog formation, 32–33,
392–393Empirical decay laws, 716–720Endothelium in blood clotting, 325Endothermic reactions, equilib-
rium conversion in, 511, 516–520
Energy, conversion factors for, 1018
Energy balancesin acetic acid production, 610in acetic anhydride production,
505–506, 508–509adiabatic operations, 478–479
batch reactors, 594–598equilibrium temperature,
514–515in steady-state nonisothermal
design, 486–487tubular reactors, 488
in butane isomerization, 491in coolant balance, 503CSTRs, 476–477
with cooling coils, 531–532heat exchanger in, 523in multiple reactions,
548–551unsteady-state operation, 620
enthalpies in, 475, 481–483in ethyl acetate saponification,
617–618
first law of thermodynamics, 473–474
heat of reaction in, 483–486in moving-bed reactor catalytic
cracking, 728in nitroanaline production, 601overview of, 476–479PBRs, 477, 576PFRs, 477
with heat exchange, 495–499multiple reactions, 544–547parallel reactions, 546
in propylene glycol production, 528, 596, 620
in semibatch reactors, 477with heat exchangers, 615multiple reactions, 626
steady-state molar flow rates, 479–481
in tubular reactors, 495–499, 554–556, 559
in unsteady-state nonisothermal reactors, 591–593
work term in, 474–476Energy barriers, 92–93Energy distribution function, 94Energy economy
hydrogen-based, 247membrane reactors, 211
Energy flux, 554Energy flux vectors, 554Energy rate change with time,
1019Engine knock, octane number in,
681–684Engine oil, 457–458Engineering experiment design
problem, 1039Engineering judgment in reactor
selection, 992Entering concentrations in flow
reactor design, 42Enthalpies in energy balance, 475,
481–483Enzymatic reactions, 86, 394–395
batch reactor calculations for, 404–407
Briggs-Haldane Equation, 404Eadie-Hofstee plots, 403enzyme-substrate complex,
395–397induced fit model, 396inhibition of.
See
Inhibition of enzyme reactions
lock and key model, 396mechanisms, 397–399
Michaelis-Menten equation, 399–404
summary, 447–449supplementary reading for, 470temperature in, 407
Enzyme-catalyzed polymerization of nucleotides, 408–409
Epidemiology, PSSH for, 458Epitaxial germanium, 701Epoxydation of ethylene, 370–371Equal-area differentiation, 263,
1010–1011Equally spaced data points in data
analysis, 258Equation of state in batch reactors,
109Equations
for batch concentrations, 102–103
for concentrations in flow systems, 107
differential.
See
Differential forms and equations
Equilibriumin adiabatic equilibrium
temperature, 513catalysts in, 647in CVD, 703
Equilibrium constantin adiabatic equilibrium temper-
ature, 514adsorption, 663in thermodynamic relation-
ships, 1021–1026Equilibrium conversions, 511
and adiabatic temperature, 512–520
in butane isomerization, 492in endothermic reactions, 511,
516–520in exothermic reactions,
512–516feed temperature in, 520–521in semibatch reactors, 224–225with variable volumetric flow
rate, 118–123Equimolar counterdiffusion
(EMCD)in binary diffusion, 762in spherical catalyst pellets, 817
Ergun equation, 177–180, 189Esterification reactions, 216E(t) curves, fitting to polynomials,
923–924Etching, semiconductor, 299–300,
700
fogler.book Page 1059 Thursday, July 21, 2005 11:48 AM
1060
Index
Ethanefrom azomethane, 379–383ethylene from, 387–389,
740–741in ethylene glycol production,
197–198ethylene hydrogenation to,
704–707thermal cracking of, 387–392
Ethanolfrom acetaldehyde, 418acetaldehyde from, 321–324ADH with, 412, 466–467butadiene from, 306in glucose-to-ethanol fermenta-
tion, 432–434in wine-making, 424from Zymononas bacteria, 240
Ethoxylation reactions, 347Ethyl acetate saponification,
616–619Ethylbenzene
from benzene and ethylene, 652–653
to ethylcyclohexane, 752styrene from, 211, 585–586
Ethylcyclohexane, 752Ethylene
adsorption of, 650epoxydation of, 370–371from ethane, 387–389, 740–741ethane from, 704–707ethyl benzene from, 652–653PBRs for, 171–175
Ethylene chlorohydrin, 246Ethylene glycol (EG)
CSTRs for, 152–156from ethylene chlorohydrin and
sodium bicarbonate, 246from ethylene oxide, 191production of, 163–168synthesizing chemical plant
design for, 196–198Ethylene oxide, 306
in ethylene glycol production, 196
production of, 135–136, 191–195
Eukaryotes, doubling times for, 425Euler method, 919Evaluation
in CSTR scale-up, 149–150in ethylene glycol production,
154, 165of laboratory reactors, 289–291in nitrogen oxide production,
206
of PFR reactor volume, 146–147in propylene glycol production,
596–597, 621in tubular reactor design,
173–174Excel
for activation energy, 95–97for CSTR parameter modeling,
982–983for RTD moments, 883for trityl-methanol reaction,
269–270for tubular reactor conversion,
972Excess method in batch reactors,
256Exchange volumes in CSTR
parameter modeling, 987Exhaust streams, automobile
nitrogen oxides in, 298–299, 742–743
in smog formation, 32–33, 392–393
Exit-age distribution function, 878Exit temperature in interstage
cooling, 517Exothermic reactions, 485, 511
equilibrium conversion in, 512–516
liquid-phase, 579safety in, 599–605
Experimental observation and measurements
for diffusion, 802for dispersion coefficient,
966–970for rate laws, 84
Experimental planningprofessional reference shelf for,
293–294in rate data collection and analy-
sis, 289Explosions
Monsanto plant, 599–605nitrous oxide plant, 634–635
Explosive intermediates, microre-actors for, 203
Exponential cell growth, 423–424Exponential decay in catalyst
deactivation, 717Exponential integrals, 908External diffusion effects.
See
Dif-fusion
External mass transferin diffusion, 766in nitrous oxide reductions, 847
External resistance to mass transfer
example, 783–788mass transfer coefficient in,
771–776mass transfer-limited reactions,
780–783mass transfer to single particles,
776–780Extinction temperature in multiple
steady states, 537Eyes
arterial blood flow in, 898blindness from methanol, 412,
466–467irritants, 392
Eyring equation, 129
F
F curves, 879Fabrication, microelectronic,
299–300, 698–700Chemical Vapor Deposition in,
701–704etching in, 700
Facilitated heat transfer in diffu-sion, 802
Factor novoseven, 326Falsified kinetics
in diffusion and reaction, 833–835
exercise, 862–863Fan, L. T.
on RTD moments, 881on tracer techniques, 878
Fanning friction factor, 182FAQ (frequently asked questions)
conversion and reactor sizing, 72
mole balance, 27multiple reactions, 360rate data collection and analysis,
293Fast orange formation, 136Fat compartment in alcohol metab-
olism, 444Fed batch reactors.
See
Semibatch reactors
Feed stocks, poison in, 714–715Feed temperature in equilibrium
conversion, 520–521FEMLAB program
diffusion, 759, 765dispersion, 975–978, 1032explanation of, 1031–1032instructions for, 1015PFR unsteady operation, 628
fogler.book Page 1060 Thursday, July 21, 2005 11:48 AM
Index
1061
radial and axial variations, 551, 557, 560–561
Femtosecond spectroscopy, 379Fermentation
glucose-to-ethanol, 432–434in wine-making, 424–425
Fermi, Enrico, 34–35Fibers, terephthalic acid for, 367Fibrin, 325Fibrinogen, 325Fick’s law
in diffusion, 760–761in dispersion, 955, 963
Film, diffusion through, 762, 766–770, 774
Finegold, D. N., 898Finite difference method, 263–264Finlayson, B. A., 844Firefly flashing frequency, 132First law of thermodynamics,
473–474First-order dependence in CFRs,
45First-order rate laws, 85First-order reactions, 83
in CSTR designbatch operations, 150series, 159single, 158startup in unsteady-state oper-
ation, 217differential equations for
diffusion in spherical catalyst pellets, 822–823
solutions, 1012irreversible, 579in multiple steady states, 535PFR reactor volume for,
146–148reversible, 512
Fischer-Tropsch reactors, 28–29Fischer-Tropsch synthesis, turn-
over frequency in, 651–652Fitting tail, 935Five-point quadrature formula
in PFR sizing, 51solutions, 1014–1015
Fixed-bed reactors.
See
Packed-bed reactors (PBRs)
Fixed concentration in mass trans-fer correlations, 784
Flame retardants, 455–456Flashing frequency of fireflies,
132Flat velocity profiles, 947Flow
in energy balance, 474
numerical solutions to, 975–978through packed beds, 177–181in pipes
dispersion in, 964–965pressure drop in, 182–185
Flow ratesammonia oxidation, 355CSTR parameter modeling, 983interstage cooling, 518mass transfer and reaction, 844mass transfer correlations, 783membrane reactors, 349, 351mesitylene hydrodealkylation,
342multiple reactions, 308space time, 66
Flow reactors, 106–107.
See also specific flow reactors by name
concentrations in, 107–108design equations, 40–43
CSTR, 43–44PBRs, 45tubular, 44
journal critique problems, 250moles changes in, 108–123with variable volumetric flow
rate, 111–123Fluid fraction in laminar flow reac-
tors, 889Fluidized-bed reactors, 22, 24, 851
catalyst decay in, 717–720in heterogeneous reactions, 88professional reference shelf for,
854Flux equation
for diffusion in spherical cata-lyst pellets, 817
in equimolar counterdiffusion, 762
Fogler, H. S., 785Force, conversion factors for, 1018Forced convection
in diffusion, 763–764mass transfer coefficient in,
774–776Formaldehyde
formation of, 392from methanol, 412, 466–467oxidation of, 369
Formate from methanol, 412Formation enthalpies, 481–483Formation rates
in ammonia oxidation, 354in azomethane decomposition,
380in net reaction rates, 331
Fouling in catalyst deactivation, 650, 712–713
Four-point rule in integral evalua-tion, 1014
Fourier’s law, 760Fractional area balance in CVD,
702Free radicals
as active intermediates, 378in bimolecular reactions, 80in smog formation, 393
Frequency factorsin acetic acid production, 612in activation energy, 95ARSST for, 605in rate laws, 85
Frequently asked questions (FAQ)conversion and reactor sizing,
72mole balance, 27multiple reactions, 360rate data collection and analysis,
293Freudlich isotherms, 666Friberg, T., 898Friction factor in pipe pressure
drop, 182Friedel-Crafts catalysts, 652Frog legs experiments, 760–761Frossling correlation
in mass transfer coefficient, 776–777
in pharmacokinetics, 798F(t) function in integral relation-
ships, 878Fuel cells, 247Fuller, E. N., 770Furusawa, T., 527
G
G.I. (gastrointestinal) tract compo-nent in alcohol metabolism, 443
Gallium arsenide layers, 701Gas-hourly space velocity, 68Gas-liquid CSTRs, RTDs in,
868–870Gas-oil, vapor-phase cracking of,
751Gas phase and gas-phase reactions,
23–24adiabatic exothermic irrevers-
ible, 75–76batch systems, 40, 103, 110, 149in CVD, 701
fogler.book Page 1061 Thursday, July 21, 2005 11:48 AM
1062
Index
Gas phase and gas-phase reactions (
cont.
)diffusion in, 770in dimethyl ether decomposi-
tion, 297elementary and reversible, 89equilibrium constant in,
1021–1023in flow reactors, 41, 114–118in liquid-phase concentrations,
108in microreactors, 204–207mole balances on, 200–202mole changes in, 108–123in packed beds, 146PFR reactor volume in, 146–148pressure drop in, 175–177professional reference shelf for,
130in tubular reactors, 14, 23,
169–171Gas-solid heterogeneous reac-
tions, 254Gas spargers, 438Gas volumetric flow rate in space
velocity, 68Gasoline
catalyst poisoning of, 714green, 584octane number of
i-pentanes in, 653interstage heat transfer in,
516–517Gastrointestinal (G.I.) tract compo-
nent in alcohol metabolism, 443
Gaussian program, 379Gel geometry in cartilage forming
cells, 824General mole balance equation,
8–10for CSTRs, 13for tubular reactors, 15
Generation heat in multiple steady states, 534–536
Generic power law rate laws in gas phase, 201
Germanium epitaxial film, 701GHSV space velocity, 68Gibbs free energy
in cumene adsorption, 676in equilibrium constant, 1022,
1024Glacial ages estimation, 808–809Glow sticks, 386Glucose
oxidation of, 417
in wine-making, 424Glucose oxidase, 417Glucose-to-ethanol fermentation,
432–434Goals for nonideal reactors, 946Goodness of fit in rate data
analysis, 255Gradientless differential reactors,
282Graphical methods
for activation energy determinations, 96–97
for batch reactor data analysis, 258
for equal-area differentiation, 1010–1011
for triphenyl methyl chloride-methanol reaction, 262–263
Gravitational conversion factor, 1019
Greek symbols, 1035Green engineering, 457Green gasolines, 584Growth of microorganisms.
See
Bioreactors
Gumbo, 1040–1041
H
Hagen-Poiseuille equation, 962Half-lives method in rate data
analysis, 280–281Halogenation reactions, 655Hanes-Woolf model
for Michaelis-Menten equation, 403
of Monod equation, 430Heat capacities in enthalpy, 483Heat effects.
See also
Temperaturein catalytic cracking, 727–728CSTRs with, 522–532FEMLAB for, 1031in RTDs, 927, 937in semibatch reactors, 616–619in steady-state nonisothermal
reactors.
See
Steady-state nonisothermal reactors
Heat exchangersenergy balance in, 523in interstage cooling, 518–519in microreactors, 203in semibatch reactors, 614–619
Heat load in interstage cooling, 518
Heat of formation for reactants, 139
Heat of reactionsin acetic acid production, 611ARSST for, 605in energy balance, 483–486molar flow rates for, 479–481
Heat terms in multiple steady states, 533–536
Heat transferin bioreactors, 438to CSTRs, 523in diffusion, 761, 802in mass transfer coefficient, 775in octane number, 516–517in pressure drop, 190
Height, energy barrier, 93Helium mixture in monopropellant
thrusters, 786Hemoglobin, deoxygenation of,
295Hemostatis process, 325Heptane, 682Heterogeneous catalytic processes
in methane production, 287phases in, 647
Heterogeneous data analysis, 688–689
mechanisms in, 691–692rate laws in, 689–690, 692–694reactor design, 693–698
Heterogeneous reactions, 6, 80, 87–88
data for, 254external diffusion effects on.
See
Diffusion
mass transfer of reactants in, 814
High-fructose corn syrup (HFCS), 395
High-molecular-weight olefin for-mation, 643
High-nickel stainless steel plates, corrosion of, 132–133
High temperature in multiple steady states, 535
Hilder, M. H., 908Hilder’s approximation, 909Hill, C. G., 761Holding time in space time, 66Holoenzymes, 418Homogeneous catalysis, 647Homogeneous liquid-phase flow
reactors, 23Homogeneous reactions, 80, 86–87
data for, 254rate law parameters for, 256
Hot spots in microreactors, 203Hougen, O. A., 670
fogler.book Page 1062 Thursday, July 21, 2005 11:48 AM
Index
1063
Humphrey, A. E., 425Hydration reactions, 654Hydrazine for space flights,
785–788Hydrocarbons
in catalyst coking and fouling, 712
partial oxidation of, membrane reactors for, 347
Hydrochloric acid, dolomite disso-lution in, 278
Hydrocracking, 722Hydrodealkylation of mesitylene
in CSTRs, 344–347in PFRs, 340–343
Hydrodemethylation of toluene, 87, 688–698
Hydrodesulfurization reactor design problem, 1040
Hydrodynamic boundary layer in diffusion, 771
Hydrogenammonia from, 670–671from cyclohexane, 647,
804–805dissociative adsorption of, 702in enzyme-substrate complex,
396from ethane, 387in ethane thermal cracking, 388in membrane reactors, 209–210in methane production, 284–288in reversible reactions, 89–90from water-gas shift reaction,
1024–1026Hydrogen-based energy economy,
247Hydrogen peroxide, 417Hydrogenation reactions, 653–654
of ethylene to ethane, 704–707of i-octene to i-octane, 744membrane reactors for, 347
Hydrolases enzymes, 397Hydrolysis
in semibatch reactor operation, 216
of starch, 461–462Hydrophobic forces for enzyme-
substrate complex, 396Hyperbolic catalyst decay, 717Hypothetical stagnant film in dif-
fusion, 773
I
I-octane and i-octene, 744
I-pentanes, 653Ideal gas constant, 1017Ideal Gas Law, 42–43Ideal reactors
RTD for, 892–901batch and plug-flow, 885–886laminar flow, 888–891single-CSTR RTD, 887–888
in two-parameter models, 979–987
Identityin chemical species, 4in reactions, 5
Ignition-extinction curves, 536–540
Ignition temperaturein equilibrium conversion, 521in multiple steady states, 537
Impellers in bioreactors, 438Imperfect pulse injection in step
tracer experiment, 877IMRCFs (inert membrane reactors
with catalyst pellets on the feed side), 207–208
Independent reactions, 306–307, 544
Induced fit model for enzyme-sub-strate complex, 396
Industrial butadiene, 654Industrial reactors
dimerize propylene into isohex-anes, 61
in mole balance, 21–24space time in, 67
Industrial waste reaction, 245–246Inert membrane reactors with cata-
lyst pellets on the feed side (IMRCFs), 207–208
Inhibition of enzyme reactions, 409–410
competitive, 410–412multiple enzyme and substrate
systems, 417–418noncompetitive, 414–416substrate, 416–417uncompetitive, 412–413
Inhibitor molecules, 414Inhibitors, 409Initial rates
for differential reactors, 281in rate data collection and analy-
sis, 277–279Initiation step in chain reactions,
386Inlet conditions
in differential reactors, 283in equilibrium conversion, 521
Instantaneous selectivityin multiple reactions, 307–308in parallel reactions, 318in semibatch reactors, 218
Instantaneous yield in multiple reactions, 310
Insulin production, 419Integral data analysis method,
267–271Integral reactors
evaluation of, 290–291PBRs, 19, 45
Integral relationships in RTDs, 878–879
Integralsnumerical evaluation of,
1013–1015in reactor design, 1009–1010
Integrated circuit fabrication, 698–700
Chemical Vapor Deposition in, 701–704
etching in, 700Integrating factor in acetaldehyde
formation, 322Intensity function in maximum
mixedness model, 921–922
Interchange in CSTR modeling, 985–987
Interfacial area for catalytic reactions, 648
Intermediate product yield, 321–324
Intermediates, active. See Active intermediates
Internal-age RTDs, 885, 935Internal diffusion
overview, 660–661Weisz-Prater criterion for,
839–841Internal effectiveness factor
in diffusion, 827–833in nitrous oxide reductions,
846–848Interphase diffusion reactors, 369,
849–850, 853–854Interrupted isothermal operations,
599–605Interstage cooling
for highly exothermic reactions, 517–520
reactor staging with, 515–516Interstage heating, reactor trains
with, 577Ionic forces for enzyme-substrate
complex, 396
fogler.book Page 1063 Thursday, July 21, 2005 11:48 AM
1064 Index
Irreversible reactions, 80endothermic, 575–576exothermic, 75–76half-lives methods in, 280isomerization, 687–688order in, 256
Irreversible surface-reaction-lim-ited rate laws, 684
Iso-octane, 682Iso-pentene, 686–688Isobutane production, 490–495,
497–499Isohexanes from dimerize propy-
lene, 60–61Isomerases enzymes, 397Isomerization, 653
in batch reactors, 11–12of butane, 62–65, 490–495,
497–499irreversible, 687–688isothermal gas-phase, 46in reactions, 5
Isopropyl isocyanate decomposi-tion, 301
Isotherm equation in adsorption, 665
Isothermal operationsin flow reactors, 116, 118gas-phase isomerization, 46interrupted, 599–606in nitroanaline production, 602
Isothermal reactors, 143CSTRs, 156–157
design equations for, 43–44, 99
parallel, 160–162scale-up in, 148–156second-order reaction in,
162–168series, 158–160single, 157–158
FEMLAB for, 1032journal critique problems,
249–252learning resources for, 230–234membrane, 207–215microreactors, 201, 203–207practical side, 226–227pressure drop in, 175, 196
analytical solution for, 185–195
flow through packed beds in, 177–181
in pipes, 182–185rate law in, 175–177spherical PBRs in, 196
questions and problems, 234–249
structure for, 144–148summary, 226–230supplementary reading, 252synthesizing chemical plant
design, 196–198tubular reactors, 168–175unsteady-state operation of
stirred reactors, 215–216semibatch reactors, 217–226startup of CSTRs, 216–217
Isotherms, adsorption, 661–666
J
Jeffreys, G. V., 504Johnson, Samuel, 377Jones, A. W., 446Journal critique problems
active intermediates, enzymatic reactions, pharmacokinetic models, and bioreactors, 468–469
catalysts, 753–755diffusion, 809–810, 863–864isothermal reactor design,
249–252multiple reactions, 372–373rate data collection and analysis,
302–303steady-state nonisothermal reac-
tor design, 589techniques for, 233–234
Junction balance in CSTR parame-ter modeling, 981, 984
K
Kargi, F., 420–421Kentucky Coal No. 9 liquefaction,
369–370Key reactant concentrations,
115–117Kidneys, artificial, 397Kind in chemical species, 4Kinematic viscosity
of helium, 786in mass transfer coefficient, 776
Kinetic Challenge module, 131–132
Kinetic energy in energy balance, 475
Kinetic rate law, 82, 86–87
Kinetics, solid-liquid dissolution, 278–279
Knee joint replacements, 823–827Knudsen diffusion
in dilute concentrations, 763in spherical catalyst pellets, 815
Knudsen phase, diffusion in, 770Kramers, H., 784Krishnaswamy and Kittrell’s
expression, 722Kunii-Levenspiel fluidization
model, 851
L
Laboratory reactorsbomb calorimeter, 103evaluation of, 289–291
Labs-on-a-chipfor DNA identification, 408–409microreactors for, 203
LaCourse, W. C., 397, 403Lactic acid production, 463Lag phase in cell growth, 422Laminar flow
Aris-Taylor analysis for, 975–978
dispersion forin pipes, 964–965in tubular reactors, 962–964
Laminar flow reactors (LFRs)mean conversion in, 908–909,
912–914RTDs in, 888–891in tubular reactors, 556
Langmuir-Hinshelwood kineticsin catalyst surface reactions, 668for heterogeneous reactions, 88,
254nonlinear regression for, 271in rate limiting, 670single-site mechanisms, 777steps in, 672for STTRs, 732
Langmuir isotherm, 664–665Langmuir plots, 400Large molecules, synthesis of, 420Le Chatelier’s principle, 1022Leaded gasoline, 714Learning resources
active intermediates, enzymatic reactions, pharmacokinetic models, and bioreactors, 449–453
catalysts, 736–737
fogler.book Page 1064 Thursday, July 21, 2005 11:48 AM
Index 1065
conversion and reactor sizing, 71
diffusion, 801, 852explanation of, 1043isothermal reactor design,
230–234mole balances, 26–27multiple reactions, 359–360nonideal reactors, 994nonisothermal reactor design
steady-state, 566unsteady-state, 630
rate data collection and analysis, 293–294
rate laws and stoichiometry, 126–127
RTDs, 934Learning styles, 1046–1047Least-squares analysis
for batch reactors, 271–273in multiple reaction analysis,
356professional reference shelf for,
293LeBlanc, Steve, 591Lee, E. T., 898Length, conversion factors for,
1018Levenspiel, O.
on dispersion coefficient deter-mination, 968
on dispersion model, 956on reaction combinations, 990on tubular reactor boundary
conditions, 961Levenspiel plots
for adiabatic isomerization, 64–65
for butane isomerization, 493for flow reactors, 122
Levine, N., 397, 403LFRs (laminar flow reactors)
mean conversion in, 908–909, 912–914
RTDs in, 888–891in tubular reactors, 556
LHSV space velocity, 68Ligases enzymes, 397Light from ultrasonic waves,
384–386Limiting reactants
in batch systems, 105in conversion, 38in semibatch reactors, 223
Limiting situations for diffusion, 848–849
Lindermann, F. A., 378
Linear decay in catalyst deactiva-tion, 717
Linear least squares, 273Linear plots in batch reactor data
analysis, 267–269Linear regression, 270–271Linearized stability theory,
631–632Lineweaver-Burk plots
for inhibitioncompetitive, 411–412noncompetitive, 415uncompetitive, 413
for Michaelis-Menten equation, 402–403
Liquefaction of Kentucky Coal No. 9, 369–370
Liquid-hourly space velocity, 68Liquid phase and liquid-phase
reactions, 21–23in batch systems, 40, 103–105,
148–156in butane isomerization, 62–65,
490–495concentrations in, 108CSTRs for, 12–13, 21–22diffusion in, 770in ethylene glycol production,
155in flow reactors, 41, 108in methanol-triphenyl reaction,
296–297mole balances in, 200pressure drop in, 175scale-up of, 148–156selectivity in, 217–218in tubular reactors, 169
Liver compartment in alcohol metabolism, 441, 444–445
Living example problemsactive intermediates, enzymatic
reactions, pharmacokinetic models, and bioreactors, 450
catalysts, 737explanation of, 1044isothermal reactors, 232multiple reactions, 360nonideal reactors, 994–995nonisothermal reactors
steady-state, 566unsteady-state, 630
rate data collection and analysis, 293
RTDs, 935Local steady-state values, 539Lock and key model, 396
Log-log paperfor batch reactor analysis,
257–258slopes on, 1027for triphenyl methyl chloride-
methanol reaction, 265–266
Logic vs. memorizing, 144, 146Logistic growth law, 462London van der Waals forces, 396Los Angeles basin
schematic diagrams, 32–33smog formation in, 392
Low temperature in multiple steady states, 535
Lubricant design problem, 1039Luedeking-Piret equation, 429Luminescence from ultrasonic
waves, 384–386Lyases enzymes, 397
M
MacMullin, R. B., 870Macrofluid in RTDs, 903Macromixing, 870, 903Maintenance in cell growth, 427Marx, Groucho, 143Mass, conversion factors for, 1018Mass balances. See also Mole bal-
ancesin cell growth, 431–434in glucose-to-ethanol fermenta-
tion, 433Mass flow rate through packed
beds, 178Mass transfer boundary layers, 771Mass transfer coefficients
correlations for, 774–776in diffusion, 771–774in hydrazine decomposition, 786in nitrous oxide reductions, 847operating condition changes in,
783–788in PBRs, 848what if conditions for, 788–792
Mass transfer-limited reactions, 789–790
on metallic surfaces, 801in PBRs, 780–783
Mass transfersin diffusion, 761, 766external resistance to
example, 783–788mass transfer coefficient in,
771–776
fogler.book Page 1065 Thursday, July 21, 2005 11:48 AM
1066 Index
Mass transfers (cont.)mass transfer-limited
reactions, 780–783mass transfer to single
particles, 776–780in heterogeneous reactions, 814in microreactors, 203in packed beds, 780–783,
842–848in pharmacokinetics, 798to single particles, 776–780
Mass velocity in ethylene oxide production, 193
Material Safety Data Sheets (MSDS), 168
Mathematical definition of reaction rate, 6–8
Mathematically tractable nonideal reactor models, 946
MATLAB programadiabatic tubular reactors, 488CSTR parameter modeling,
982–983ethylene oxide production, 194explanation of, 1031instructions for, 1015isothermal reactors, 230membrane reactors, 213–214non-adiabatic PFR energy bal-
ance, 479nonlinear regression, 274PFR/PBR multiple reactions,
336–339semibatch reactor multiple
reactions, 626Maximum mixedness model,
915–922multiple reactions in, 928–932ODE solver for, 925–927in RTDs for reactor modeling,
903vs. segregation model, 922–923
Mean conversionin laminar flow reactors,
912–914in real reactors, 910–912in segregation model, 906–910
Mean residence timein dispersion coefficient deter-
mination, 969in RTDs, 879–881, 890in space time, 66
Mears, D. E., 841Mears’ criterion, 841–842Measured variables
in rate data analysis, 254
in triphenyl methyl chloride-methanol reaction, 261
Mechanism searches, 383–386Medical applications
pharmacokinetics. See Pharma-cokinetics
of RTDs, 898transdermal drug delivery, 772
Medicated patches, 772MEK (methyl ethyl ketone) pro-
duction, 743–744Membrane reactors
design, 207–215mole balances for, 198for multiple reactions, 347–351packed bed, 179, 576
Memorization vs. logic, 144, 146Mesitylene hydrodealkylation
in CSTRs, 344–347in PFRs, 340–343
Metabolism of alcohol, 393–394, 441
central compartment in, 443G.I. tract component in, 443liver compartment in, 444–445model system for, 441–442problem for, 1041–1042stomach in, 442–443
Metallic surfaces, mass transfer-limited reactions on, 801
Metaxylene isomerization, 241Methane
from carbon monoxide and hydrogen, 284–288
from ethane, 387from toluene, 87, 688–698xylene from, 649
MethanolADH with, 412, 466–467dimethyl ether from, 742poisoning by, 412, 466–467,
1042synthesis problem, 1040in triphenyl methyl chloride
reaction, 260–266in trityl-methanol reaction,
269–271Methanol-triphenyl reaction,
296–297Method of half-lives, 280–281Method of initial rates, 277–279Methyl amine, 220–223Methyl bromide production,
220–223Methyl ethyl ketone (MEK) pro-
duction, 743–744
Methylcyclohexane, toluene from, 746–747
Michaelis constant, 399–401, 411Michaelis-Menten kinetics and
equationsin alcohol metabolism, 441in competitive inhibition,
410–411in enzymatic reactions, 399–404in oxygen-limited growth, 439substrate concentration in, 405in uncompetitive inhibition,
412–413Microbial growth. See BioreactorsMicroelectronic fabrication,
299–300, 698–700Chemical Vapor Deposition in,
701–704etching in, 700
Microfluidsin DNA identification, 408–409in RTDs, 903
Micromechanical fabrication, 700Micromixing, 870, 903Microorganisms
growth of. See Bioreactorsscale-up for, 439
Microplants, 148Microreactors
designing, 201–207for phosgene, 243–244
Mild reaction conditions in bio-conversions, 419
Mills, N. F., 425Minimum mixedness, 915Minimum sums of squares, 272Missing information in ethylene
glycol production, 153Mixed inhibition, 414–416Mixers in microreactors, 203Mixing
in nonideal reactors, 870in RTDs, 871, 902in segregation model, 904–905
Miyauchi, T., 527Model discrimination in catalysts,
704–707Molar average velocity in diffu-
sion, 760Molar feed rate in flow reactors, 41Molar flow, 107
ammonia oxidation, 355binary diffusion, 761–765catalyst carbon removal, 796coolant balance, 503–504CSTRs, 14
fogler.book Page 1066 Thursday, July 21, 2005 11:48 AM
Index 1067
diffusion, 758–761, 764–765ethylene glycol production, 164,
196flow reactors, 42, 111–113,
121gas phase, 201heat of reaction, 479–481isothermal reactors, 198–199membrane reactors, 348–349microreactors, 204–207multiple reactions, 309,
348–349, 351PBRs, 336–339PFRs, 17, 336–339tracer, 956tubular reactors, 552
Molar rate of mass transfer in diffusion, 835–837
Mole balances, 1–4acetaldehyde formation,
321–324acetic acid production, 610acetic anhydride production,
505–506, 508adiabatic tubular reactors,
487–488ammonia oxidation, 352batch reactors, 10–12
in design equations, 39enzymatic reactions, 404integral data analysis, 267
butane isomerization, 490, 498catalysts
carbon removal, 795–796decay, 718sintering, 710
CD-ROM material, 26–29CFRs, 12–21complex reactions, 327–328coolant balance, 502–503CSTRs, 43, 980
batch operations, 149–150with cooling coils, 531in design, 157multiple reactions, 344, 549in series, 55–56unsteady-state operation, 620
diffusion, 758–759, 767, 817ethane thermal cracking, 389ethyl acetate saponification, 617ethylene glycol production,
153–154FAQ for, 27gas phase, 200–202general mole balance equation,
8–10industrial reactors, 21–24
inert tracer in dispersion model, 957
isothermal reactors, 176, 198–199
learning resources for, 26–27liquid phase, 200mass transfer and reaction in
packed beds, 843maximum mixedness model,
917mean conversion in laminar flow
reactors, 912membrane reactors, 209, 212,
349mesitylene hydrodealkylation,
341, 345multiple reactions, 309,
336–339, 344, 349, 549, 626
nitroanaline production, 601nitrogen oxide production, 205nitrous oxide reductions, 846nonisothermal reactor design
steady-state, 472unsteady-state, 593
parallel reactions, 316, 545PBRs, 18–19, 200–203,
336–339PFRs
first-order gas-phase reac-tion, 146–147
with heat effects, 545multiple reactions, 336–339in unsteady operation, 628
pharmacokinetics, 798pressure drop, 176, 186professional reference shelf for,
27–29propylene glycol production,
528–530, 620questions and problems for,
29–35rate data analysis, 254reaction rate, 4–8semibatch reactors, 219–220,
224, 626STTRs, 730summary, 25supplementary reading, 35–36T-I-S model, 952triphenyl methyl chloride-meth-
anol reaction, 261tubular reactors, 44
adiabatic, 487–488design, 172radial and axial variations in,
553, 559
Molecular adsorption, 662, 664Molecular dynamics, professional
reference shelf for, 129Molecular sieves, 648Molecularity of reactions, 80Molecules in diffusion, 758Moles
in batch systems, 100–102in gas phase, 108–123in reactors in series, 54
Moments of RTDs, 881–884Momentum transfer in diffusion,
761Monod equation
in bioreactors, 418, 435for exponential growth, 423–424Hanes-Woolf form of, 430in oxygen-limited growth, 439
Monodispersed solid particle dis-solution, 798–799
Monoethanolamine formation, 306Monolithic catalysts, 649Monopropellant thrusters, 785–786Monsanto plant accident, 599–605Moser equation, 425MOSFET devices, 698–699Motion sickness patches, 772Motor oil, 457–458Moving-bed reactors, catalyst
deactivation in, 722–728MSDS (Material Safety Data
Sheets), 168Mukesh, D., 226–227Multiphase reactors in diffusion,
849–850Multiple enzyme and substrate
systems, 417–418Multiple reactions, 305, 327
analysis for, 356CD-ROM material for, 359–361complex. See Complex reactionsin CSTRs, 343–347, 548–551for digital-age problems,
356–357journal critique problems for,
372–373membrane reactors for, 347–351nonisothermal, 543
energy balance in, 544–551unsteady-state, 625–627
in packed bed flow, 179parallel. See Parallel reactionsin PBRs, 335–343in PFRs, 335–343, 477,
544–547questions and problems for,
361–375
fogler.book Page 1067 Thursday, July 21, 2005 11:48 AM
1068 Index
Multiple reactions (cont.)RTD in, 927–932series, 305–307
in blood clotting, 325–326desired product in, 320–326in mass transfer-limited
reactions, 789summary, 357–359supplementary reading for, 375types of, 305–310
Multiple regression techniques, 693
Multiple steady states, 533heat of generation in, 534–536heat-removed terms in, 533–534ignition-extinction curves in,
536–540runaway reactions in CSTRs,
540–543Multiple substrate systems,
417–418, 453Multiplication, cell, 421Muscle/fat compartment in alcohol
metabolism, 444Mystery Theater module, 236
N
N-butyl alcohol, dehydration of, 741–742
N-pentanes in octane number, 653Navigating CD-ROM, 1045–1046Negative steps in step tracer exper-
iment, 878Neoplastic diseases, 409Net rates
in complex reactionscombination, 332–334for each species, 329rate laws for, 329–330stoichiometry, 330–331
of formationin ammonia oxidation, 354in complex reactions,
327–328in membrane reactors, 349in mesitylene hydrodealkylation
in CSTRs, 345in PFRs, 341
in parallel reactions, 546Newton’s law of viscosity, 761Nickel catalysts, 284–288Nickelmordenite catalysts, 752Nicotine patches, 772Nicotine species, 4Nishimura, H., 527
Nitration reactions, 347Nitroanaline from ammonia and
ONCB, 136, 599–601adiabatic operation in, 603batch operation with heat
exchange, 603–604disk rupture in, 605isothermal operation in, 602
Nitrobenzene example problem, 28Nitrogen
ammonia from, 670–671from azomethane, 379–383from benzene diazonium chlo-
ride, 95skin exposure to, 804in smog formation, 392
Nitrogen dioxidefrom nitrogen oxide, 456from reversible gas-phase
decompositions, 118–123in smog formation, 392
Nitrogen oxides, 393in automobile emissions,
298–299, 742–743nitrogen dioxide from, 456production of, 204–207in smog formation, 392–393
Nitrogen tetroxide decomposition, 118–123
Nitrous oxidesin plant effluents, 845–848plant explosion, 634–635
NLES solutionin flow reactors, 120–121in mesitylene hydrodealkylation,
346Nomenclature, 1033–1035Non-adiabatic energy balance, 479Non-enzymatic lipoprotein, 325Noncompetitive inhibition,
414–416Nondissociated adsorption, 662Nonelementary rate laws, 86–88,
377–379chain reactions in, 386–391mechanism searches in,
383–386PSSH in, 379–383reaction pathways in, 391–394summary, 447–449
Nonflat velocity profiles in disper-sion, 962
Nongrowth associated product for-mation, 426, 428–429
Nonideal reactors, 945CD-ROM material, 994–995characteristics of, 867–871
using CSTRs and PFRs, 990–991
dispersion flow solutions, 975–978
guidelines for, 946–947one-parameter models,
947–948questions and problems,
996–1004RTDs for, 991–992summary, 993–994supplementary reading, 1005T-I-S, 948–955, 974tubular
balance equations in, 957boundary conditions in,
958–962dispersion in, 955–957,
962–964dispersion coefficient correla-
tion in, 964–966dispersion coefficient deter-
mination in, 966–970sloppy tracer inputs in,
970–973two-parameter models, 948,
979–987Nonisothermal reactions, 543
FEMLAB for, 1032internal effectiveness factor in,
831–832steady-state. See Steady-state
nonisothermal reactorsunsteady-state. See Unsteady-
state nonisothermal reactors
Nonlinear least-squares, 356Nonlinear regression
for batch reactor data analysis, 271–277
for cell growth, 430for ethylene hydrogenation to
ethane, 705–707for Michaelis-Menten equation,
404Nonporous monolithic catalysts,
649Nonreactive trajectory in molecu-
lar dynamics, 129Nonseparable kinetics in catalyst
deactivation, 707–708Normal pentane, octane number
of, 683Normal plots for activation energy
determinations, 96Normalized RTD function,
884–885
fogler.book Page 1068 Thursday, July 21, 2005 11:48 AM
Index 1069
Nuclear processes, Fermi work on, 34–35
Nuclear reactor problem, 1039Nuclear region in cells, 419Nucleotides, polymerization of,
408–409Number in chemical species, 4Numerical techniques
for adiabatic tubular reactors, 489
for batch reactors, 258–259differential equations. See
Differential forms and equations
equal-area graphical differentia-tion, 1010–1011
for flows with dispersion and reaction, 975–978
integralsnumerical evaluation of,
1013–1015in reactor design, 1009–1010
for membrane reactors, 213software packages, 1015
Nusselt number, 774–776Nutrients
in cell growth, 428in ready-to-eat cereals, 245
O
Octanebutyl alcohol for, 740TAME for, 584
Octane numberinterstage heat transfer in,
516–517in petroleum refining, 681–684
ODE (ordinary differential equa-tion) solvers. See also FEMLAB program; MAT-LAB program; Polymath program
adiabatic tubular reactors, 489
ammonia oxidation, 353complex reactions, 327fitting E(t) curves to
polynomials, 923–924gas phase, 202moving-bed reactors, 736multiple reactions, 336–339,
356segregation model, 924–925steady-state nonisothermal
reactors, 565
OilEast Texas light gas oil,
712–713engine, 457–458
Olefins formation, 643Ollis, D. F., 421ONCB, nitroanaline from, 136,
599–601One-parameter models for non-
ideal reactors, 945characteristics of, 947–948T-I-S, 948–955
One-third rule, 1014Onset temperatures with calorime-
ters, 606–607Open-ended problems, 1039–1042Open-open boundary conditions
in dispersion coefficient deter-mination, 968–970
in tubular reactors, 960–961Open systems, first law of thermo-
dynamics for, 473Operating conditions
in mass transfer coefficients, 783–788
in parallel reactions, 317–320Operating costs in ethylene glycol
production, 196–197Optimum feed temperature in
equilibrium conversion, 520–521
Optimum yield in acetaldehyde formation, 322–323
Optoelectronic device fabrication, 700
Orbital distortions, 93–94Order, reaction, 83Order of magnitude of time in
scale-up, 151Ordinary differential equation
solvers. See FEMLAB pro-gram; MATLAB program; ODE (ordinary differential equation) solvers; Poly-math program
Organ compartments in pharmaco-kinetic models, 440
Organic reactions, liquid-phase, 104
Oscillating reactions, 362, 372Ostwald, Wilhelm, 646Other work term in energy
balance, 474OTR (oxygen transfer rate) in
bioreactors, 438Outlet concentration
in nonideal reactors, 947
of tracer in T-I-S model, 949Overall conversion in mesitylene
hydrodealkylation, 345Overall effectiveness factor
in diffusion and reaction, 835–838, 855
in nitrous oxide reductions, 846–848
Overall mass balance, 219Overall mass transfer coefficient,
210Overall selectivity
in membrane reactors, 348in mesitylene hydrodealkylation,
347in multiple reactions, 308–310,
348Overall yield in multiple reactions,
310Overenthusiastic engineers,
790–792Oxidation
in acetaldehyde formation, 321of ammonia, 351–355in catalysts, 654of formaldehyde, 369of glucose, 417membrane reactors for, 347
Oxidation problem, 1040Oxidoreductases enzymes, 397Oxygen
in cartilage forming cellsconcentration, 826–827consumption, 824–825
in smog formation, 392Oxygen-18 data, 808–809Oxygen diffusion in catalyst pellet
carbon removal, 794–797Oxygen-limited growth, 438–439Oxygen transfer rate (OTR) in
bioreactors, 438Ozone
alkene reactions, 298formation of, 392–393in green engineering, 457
P
Pacheco, M. A., 713Packed-bed reactors (PBRs), 12,
17–21adiabatic, 488–495catalyst poisoning of, 715design equations for, 99dispersion in, 966energy balance for, 477, 576
fogler.book Page 1069 Thursday, July 21, 2005 11:48 AM
1070 Index
Packed-bed reactors (PBRs) (cont.)flow reactor design equations,
45gas-phase reactions in, 146with heat exchange, 477,
502–504journal critique problems, 251mass transfer in, 780–783,
842–848mole balances on, 18–19,
200–203, 336–339multiple reactions in, 335–343ODE solvers algorithms for, 230pressure drop in, 177–181,
183–185, 196RTDs, 869in steady-state tubular reactors,
502–504structure of, 23–24for toluene hydrodemethyla-
tion, 694–698transfer-limited reactions in,
848–849Parallel reactions, 305–307, 310
CSTRs, 160–162, 165–167, 314–317
desired products in, 311–317in mass transfer-limited reac-
tions, 789in PFRs with heat effects,
545–547reactor selection and operating
conditions in, 317–320Parameters
acetic anhydride production, 508–509
butane isomerization, 491CSTR modeling, 981–985, 987ethylene oxide production, 192mass transfer coefficients,
788–792membrane reactors, 213mesitylene hydrodealkylation,
342–343nonideal reactors, 945–946nonlinear regression, 273propylene glycol production,
596–597, 621STTRs, 731toluene hydrodemethylation,
692tubular reactor design, 173–174
Partial differentiation (PDE) solv-ers
for diffusion, 759, 765for tubular reactors, 551
Partial oxidation, membrane reac-tors for, 347
Partial pressure profiles, 697Particle size
in internal diffusion, 660in pressure drop, 189–190
PBPK (physiologically based phar-macokinetic) models, 439–446
PBRs. See Packed-bed reactors (PBRs)
Peach Bottom nuclear reactor problem, 1039
Peclet numberin dispersion and T-I-S models,
974in dispersion coefficient deter-
mination, 966–968, 970in tubular reactors, 958,
961–962Peclet-Bodenstein number, 974Pellets
carbon removal from, 794–797in internal diffusion, 660spherical, 814
differential equation for, 816–819, 822–823
dimensionless form, 819–822effective diffusivity in,
814–816for tissue engineering,
823–827Penicillium chrysogenum
formation of, 423as reactors, 31
Pentene, iso-pentene from, 686–688
Perfect mixing in CSTRs, 13, 43–44, 311
Perfect operationin CSTRs, 893in tubular reactors, 895
Peroxide radicals, 392–393Peters, M. S., 23, 747Petersen, E. E., 707, 713Pfaudler CSTRs/batch reactors, 22PFRs. See Plug-flow reactors
(PFRs)Pharmacokinetics
competitive inhibition in, 410–412
diffusion in, 798–799in drinking and driving, 364models, 439–446summary, 447–449Tarzlon, 364–365
Phasescell growth, 422enthalpy, 482heterogeneous catalytic pro-
cesses, 647heterogeneous reactions, 6
Phosgene production, 243–244Photochemical decay of aqueous
bromine, 297–298Photos of real reactors, 27Phthalic anhydride, 1–2Physical adsorption, 650Physiologically based pharmacoki-
netic (PBPK) models, 439–446
Picasso’s reactor, 16–17Pipes
dispersion in, 964–965pressure drop in, 182–185
Plant effluents, nitrous oxides in, 845–848
Platinum on aluminain benzene production, 647as reforming catalyst, 683
Plug flowin diffusion, 764in tubular reactor design, 169,
172Plug-flow reactors (PFRs), 12,
14–17for acetic anhydride production,
508–510adiabatic, 487–495in butane isomerization,
492–494conversion in, 973CSTRs in series as approxima-
tion of, 57–58, 60–64design equations for, 44energy balance of, 477
with heat exchange, 495–499multiple reactions, 544–547parallel reactions, 546
ethylene production in, 171–175for gas-phase reactions, 23,
146–148with heat exchange, 502–504,
508–510mean conversion in, 907,
909–910, 912–913mesitylene hydrodealkylation in,
340–343mole balances on, 200–202multiple reactions, 335–343,
544–547nonideal reactors using, 990–991
fogler.book Page 1070 Thursday, July 21, 2005 11:48 AM
Index 1071
numerical solutions to, 978parallel reactions, 315–317,
545–547reactor volume for, 146–148RTDs for, 885–886, 897–901runaway in, 567in series, 58–60
with CSTRs, 60–64RTDs for, 897–901sequencing, 64–66
sizing, 50–54steady-state tubular reactors,
502–504unsteady operation of, 628
Point of no return in nitroanaline production, 603
Poisoningin catalyst deactivation, 650,
713–716methanol, 412, 466–467, 1042
Polanyi-Semenov equation, 97Polished wafers in microelectronic
fabrication, 698Polydisperse solids, diffusion of,
802Polyesters
ethylene glycol for, 163from ethylene oxide, 191
Polymath programacetic acid production, 613–614acetic anhydride production,
506–507, 510–511adiabatic reactors, 479, 487alcohol metabolism, 445–446ammonia oxidation, 354–355blood clotting, 326butane isomerization, 493–494,
498–499catalyst decay, 719–720cell growth, 430CSTRs
with bypass and dead volume, 988–989
with cooling coils, 532with multiple reactions,
550–551parameter modeling, 982–983unsteady-state operation,
621–622energy balance, 479ethane thermal cracking,
390–391ethyl acetate saponification,
618–619ethylene hydrogenation to
ethane, 705–707
ethylene oxide production, 193–195
explanation of, 1029–1030glucose-to-ethanol fermenta-
tion, 433heat effects, 547instructions for, 1015isothermal reactor algorithms
for, 229–230maximum mixedness model,
925–927mean conversion, 914membrane reactors, 213–214,
350mesitylene hydrodealkylation,
342–343, 345–346methane production, 287–288methyl bromide production,
221–222Michaelis-Menten equation, 404multiple reactions, 316–317,
336–339, 350, 550–551, 604, 626–627, 931–932
nitroanaline production, 604nitrogen oxide production,
206–207nonlinear regression, 274–277,
430PBRs, 336–339PFRs, 336–339, 547propylene glycol production,
530–531, 597–598, 621–622
RTD moments, 883semibatch reactors, 626STTRs, 731–732toluene hydrodemethylation,
693, 696triphenyl methyl chloride-meth-
anol reaction, 264–266trityl-methanol reaction,
269–270tubular reactors, 487, 972variable volumetric flow rate,
120–121Polymerization
in batch systems, 104, 151in bioreactors, 420journal critique problems, 469of nucleotides, 408–409professional reference shelf for,
451–452screw extruders in, 879
Polymers production, 419Polynomial fit
for batch reactors, 259–260
for E(t) curves, 923–924Polynomial method in triphenyl
methyl chloride-methanol reaction, 264–271
Porous catalyst systems, 648carbon removal in, 793–797diffusion in, 763monolithic, 649
Postacidification in yogurt, 459Potatoes, cooking, 134Potential energy in energy balance,
475Power law
and elementary rate laws, 82–86in gas phase, 201for homogeneous reactions, 254
Practical stability ratein CSTR unsteady-state opera-
tion, 619in propylene glycol production,
622Prandtl number, 774–776Predictor prey relationships, 464Pressure
conversion factors for, 1018in diffusion, 770in energy balance, 474in state equation, 109
Pressure dropin complex reactions, 328in ethylene oxide production,
192–193in isothermal reactor design,
175, 199analytical solution for,
185–195flow through packed beds in,
177–181in pipes, 182–185rate law in, 175–177spherical PBRs in, 196
Pressure profiles, 697Price
in ethylene glycol production, 196–198
of Pfaudler CSTRs/batch reac-tors, 22
Product-enzyme complex, 404Product formation in cell growth,
426–429Production rate in dilution, 437Professional reference shelf
active intermediates, enzymatic reactions, pharmacokinetic models, and bioreactors, 451–453
fogler.book Page 1071 Thursday, July 21, 2005 11:48 AM
1072 Index
Professional reference shelf (cont.)catalysts, 737–738conversion and reactor sizing,
72diffusion, 801–802, 853–855explanation of, 1044isothermal reactor design, 232mole balance, 27–29multiple reactions, 360–361nonideal reactors, 995nonisothermal reactor design
steady-state, 566unsteady-state, 631–632
rate data collection and analysis, 293–294
rate laws and stoichiometry, 128–130
RTDs, 935Promoters, 649Propagation step in chain
reactions, 386Propane, dehydrogenation for, 211Propylene
adsorption of, 673from cumene, 5in Langmuir-Hinshelwood
kinetics, 672Propylene glycol production
in adiabatic reactors, 526–531, 595–598
in CSTR unsteady-state operation, 619–624
multiple steady states in, 533Propylene oxide, propylene glycol
from, 526–531Prostaglandin, inhibiting produc-
tion of, 409Protease hydrolyzes, 394Prothrombin, 326Pseudo-steady-state-hypothesis
(PSSH), 377for active intermediates,
379–383for epidemiology, 458for ethane thermal cracking,
387–392rate laws derived from,
684–687Pulse injection, 872Pulse input experiment for RTDs,
871–876Pulse reactor evaluation, 291Pulse tracer inputs, 873, 886–887,
948, 968Pursley, J. A., 284Pyridine hydrochloride, 260–266
Q
Q term in CSTRs with heat effects, 522
Quarderer, G. C., 289Quasi-steady state assumption
(QSSA), 794Questions and problems
active intermediates, enzymatic reactions, pharmacokinetic models, and bioreactors, 454–467
catalysts, 738–753conversion and reactor sizing,
72–77diffusion, 802–810, 855–863isothermal reactor design,
234–249mole balances, 29–35multiple reactions, 361–375nonideal reactors, 996–1004nonisothermal reactors
steady-state, 566–588unsteady-state, 633–643
rate data collection and analysis, 294–301
rate laws and stoichiometry, 131–140
RTDs, 936–944
R
Radial concentration profiles, 978Radial mixing in tubular reactors,
962Radial variations in tubular reac-
tors, 551–561Radioactive decay, 80Rapid reactions
on catalyst surfaces, 776–780CSTR startup in unsteady-state
operation, 217Rate constant
adsorption, 663reaction, 82, 91–98
Rate data collection and analysis, 253
batch reactor data, 256–257differential method, 257–266integral method, 267–271nonlinear regression, 271–277
data analysis algorithm, 254–255
differential reactors, 281–288experimental planning in, 289
half-lives method, 280–281initial rates method, 277–279journal critique problems,
302–303laboratory reactors, 289–291learning resources, 293–294questions and problems for,
294–301summary, 291–292supplementary reading, 303–304
Rate equation, 7Rate laws, 79
acetaldehyde formation, 321–322
acetic acid production, 610acetic anhydride production,
505adiabatic equilibrium tempera-
ture, 513adsorption, 662alcohol metabolism, 441ammonia oxidation, 353azomethane decomposition,
380–381batch reactors, 260–267butane isomerization, 490, 498catalyst decay, 718catalytic reactions, 671–674
deducing, 689–690derived from PSSH, 684–687evaluating, 692–694temperature dependence of,
687–688CD-ROM material for, 126–130,
139–140cell growth, 423–425, 428complex reactions, 328coolant balance, 502–503CSTRs
batch operations, 149–150with cooling coils, 531multiple reactions, 549parameter modeling, 984second-order reaction in, 162single, 157unsteady-state operation, 620
cumene decomposition, 680CVD, 701deducing, 383–384definitions, 80–82elementary, 82–86ethane thermal cracking, 387,
389ethyl acetate saponification, 617ethylene glycol production,
153–154, 156, 164
fogler.book Page 1072 Thursday, July 21, 2005 11:48 AM
Index 1073
ethylene hydrogenation to ethane, 705
ethylene oxide production, 191glucose-to-ethanol fermenta-
tion, 433homogeneous reactions, 256inhibition
competitive, 410noncompetitive, 414uncompetitive, 413
irreversible surface-reaction-lim-ited, 684
isothermal reactor design, 175–177, 199
kinetic, 86–87mean conversion, 913membrane reactors, 212, 349mesitylene hydrodealkylation,
341methane production, 285–288methyl bromide production, 221moving-bed reactors catalytic
cracking, 726multiple reactions, 336–339,
349, 356, 549, 626net rates of reaction, 329–330nitroanaline production,
600–601nitrogen oxide production, 205nitrous oxide reductions, 846nonelementary. See Nonelemen-
tary rate lawsnonlinear regression for,
274–277parallel reactions, 310, 545PBRs, 336–339PFR reactors
multiple reactions, 336–339parallel, 545unsteady operation, 628volume for first-order gas-
phase reaction, 146–147pressure drop, 175–177, 186propylene glycol production,
528, 596, 620from PSSH, 684–687questions and problems for,
131–140rate data analysis, 254–255and reaction order, 82–91reactor sizing and design, 98–99semibatch reactors, 218, 224,
626spherical catalyst pellets,
817–818steady-state nonisothermal reac-
tor design, 472
in STTRs, 731summary, 124–125supplementary reading for, 141surface-reaction-limited irrevers-
ible isomerization, 688surface reactions in catalysts,
667–668temperature dependence of,
687–688toluene hydrodemethylation,
689, 692, 695triphenyl methyl chloride-meth-
anol reaction, 261trityl-methanol reaction, 270tubular reactors
adiabatic, 488design, 169, 172–173radial and axial variations in,
559for urea
decomposition, 405removal, 398–399
variable volumetric flow rate, 121–122
web sites for, 1037Rate-limiting
benzene, 678–680in catalytic reactions, 669–674of cumene adsorption, 674–677surface reactions, 677–678
Rate of change of energy with time, 1019
Rate of consumption in spherical catalyst pellets, 820
Rate of desorption, 668Rate of detachment in adsorption,
663Rate of disappearance of substrate,
400Rate of formation
in ammonia oxidation, 354in azomethane decomposition,
380in net rates of reaction, 331in relative rates of reaction,
81–82for species, 9
Rate of generation, 8Rate of reaction, 4–8
azomethane decomposition, 380catalysts
deactivation, 708in diffusion, 657sintering, 711
complex reactionscombination, 332–334for each species, 329
rate laws for, 329–330stoichiometry, 330–331
CSTRs, 13, 161diffusion and reaction, 837–838internal effectiveness factor,
828–831methane production, 284multiple reactions, 309nonlinear regression for, 272packed bed transfer-limited
reactions, 849PFR/PBR multiple reactions,
339with pressure drop, 185, 190relative, 81–82
Rate of removal in membrane reactors, 210
Rate of transport in membrane reactors, 210
Rate selectivity parameter in paral-lel reactions, 310
Reactants and reactant concentra-tions
catalyst poisoning of, 715–716in continuous-flow reactors, 47in conversion, 38desired products for, 311–317in differential reactors, 281energy of formation of, 93heats of formation for, 139in heterogeneous reactions, 814mass transfer of, 814in multiple reactions, 307in parallel reactions, 311–317in semibatch reactors, 224
Reaction coordinates, 92Reaction-limited regime estima-
tion, 838–842Reaction mechanisms, searching
for, 383–386Reaction order, 82–91Reaction pathways, 391–394Reaction rate constant, 82, 91–98Reaction steps with catalysts, 657Reaction surface area in heteroge-
neous reactions, 6Reaction times in scale-up, 151Reaction yields in multiple reac-
tions, 309Reactions. See also names of spe-
cific reactions.heterogeneous, 87–88homogeneous, 86–87modeling diffusion without,
766–770rates of. See Rate of reactionreversible, 88–91
fogler.book Page 1073 Thursday, July 21, 2005 11:48 AM
1074 Index
Reactions (cont.)temperature effects on, 97–98
Reactive distillationin semibatch reactor operation,
216for thermodynamically limited
reversible reactions, 225–226
Reactive ion etching (RIE), 700Reactive trajectory in molecular
dynamics, 130Reactor design for toluene hydro-
demethylation, 694–698Reactor lab
for isothermal reactor design, 231–232
for multiple reactions, 360for rate data collection, 293, 295
Reactor length in nitrous oxide reductions, 848
Reactor modeling, RTDs for, 902–903
Reactor staging with interstate cooling of heating, 515–516
Reactor volumebutane isomerization, 63catalyst decay, 719continuous-flow reactors,
46–47conversion factors for, 1018CSTRs, 43, 56–58, 61–62,
64–66, 161ideal gases, 1017membrane reactors, 209PBRs, 18, 20–21PFRs, 17, 21, 59, 64–66in space time, 66tubular reactors, 170variable, 109–111
Reactors. See also specific reactor types by name
cells as, 31in parallel reactions, 317–320in rate data analysis, 254in series, 54–55
CSTRs, 55–58CSTRs and PFRs combina-
tion, 60–64CSTRs and PFRs compari-
sons, 64–66PFRs, 58–60
sizing. See Conversion and reac-tor sizing
Ready-to-eat cereals, 245Real reactors
mean conversions in, 910–912
in two-parameter models, 979–987
Realistic models for nonideal reac-tors, 946
Reciprocal concentrations, 268Reciprocal power decay, 717Recirculating transport reactors,
290–291Recycle reactors
journal critique problems, 251professional reference shelf for,
232–233Recycle stream in parallel
reactions, 319Reflective learners, 1047Reforming catalysts, 681–685Regeneration
catalyst, 793–797enzyme, 417
Regressionin activation energy determina-
tions, 95for batch reactor data analysis,
271–277for cell growth, 430for ethylene hydrogenation to
ethane, 705–707for methane production,
287–288for Michaelis-Menten equation,
404for toluene hydrodemethyla-
tion, 693for triphenyl methyl chloride-
methanol reaction, 266for trityl-methanol reaction,
270–271Rehkopf, R. G., 898Related material in ethylene glycol
production, 154Relative rates of reaction
ammonia oxidation, 353mesitylene hydrodealkylation,
341multiple reactions, 330–331parallel reactions, 546PFR/PBR multiple reactions,
339stoichiometric coefficients for,
81–82Relief valves, 605–614Removal rate in membrane reac-
tors, 210Residence-time distribution func-
tion, 872Residence-time distributions
(RTDs), 867, 869–871
CD-ROM material, 934–935diagnostics and troubleshooting
CSTRs, 891–895PFR/CSTR series, 897–901tubular reactors, 895–897
gas-liquid reactors, 868–870ideal reactors
batch and plug-flow, 885–886laminar flow reactors,
888–891single-CSTR, 887–888
integral relationships in, 878–879
internal-age distribution, 885mean residence time in,
879–881, 890measurement of, 871–878medical uses of, 898microreactors, 203moments of, 881–884multiple reactions, 927–932nonideal reactors, 991–992normalized function, 884–885PBRs, 869pulse input experiment for,
871–876questions and problems, 936–944for reactor modeling, 902–903software packages for, 923–927step tracer experiment, 876–878summary, 933–934supplementary reading, 944T-I-S model, 950two-parameter models, 979for zero-parameter models
maximum mixedness model, 915–922
maximum mixedness predic-tions, 922–923
segregation model, 904–914Respiration rate of chipmunks, 805Retinal blood flow, 898Retinitis pigmentosa, 898Reverse reactions in data analysis,
277Reversible gas-phase decomposi-
tions, 118–123Reversible isomerization, 688Reversible reactions, 80, 88–91Reynolds number
in dispersion, 964–965in dispersion coefficient deter-
mination, 968in mass transfer coefficient,
774–776, 779in mass transfer correlations,
784–785
fogler.book Page 1074 Thursday, July 21, 2005 11:48 AM
Index 1075
Rhizobium trifollic, 425Ribonucleic acid (RNA), 419Ribosomes, 419RIE (reactive ion etching), 700RNA (Ribonucleic acid), 419Robert the Worrier, 783–788Rotation in transition state theory,
129RTDs. See Residence-time distri-
butions (RTDs)Runaway reactions
in CSTRs, 540–543from falsified kinetics, 835in PFRs, 567
S
Saccharomyces cerevisiaefor glucose-to-ethanol fermenta-
tion, 432–434production of, 300
Safetyof ethylene glycol, 167–168in exothermic reactions,
599–605in unsteady-state nonisothermal
reactor design, 605–614Santa Ana winds, 33, 392Saponification, 104–105Satellite maneuvering, 785–788Scale-up
in bioreactors, 439of liquid-phase batch reactor
data, 148–156Scavengers with active intermedi-
aries, 385Schmidt number
in diffusion, 776, 779in dispersion, 964, 968
Schmitz, R. A., 538–539Seafood gumbo, 1040–1041Searching
for mechanisms, 383–386in nonlinear regression,
272–273Second-order decay, 710Second-order ODE solutions, 1013Second-order rate laws, 85Second-order reactions, 83
in batch reactor data analysis, 268
in CSTR design, 158, 162–168irreversible, 158isothermal, 150, 220–223in laminar flow reactors,
912–914
mean conversion in, 912–914in moving-bed reactor catalytic
cracking, 727in multiple steady states, 535RTDs for, 899–901
Second reactors in interstage cool-ing, 519–520
Segregation modelin maximum mixedness model,
915, 919, 922multiple reactions in, 927–932ODE solver for, 924–925RTDs for, 904–914vs. T-I-S model, 953–955
Segregation vs. maximum mixed-ness predictions, 922–923
Seitz, Nick, 305Selectivity
in liquid-phase reactions, 217–218
membrane reactors for, 215, 347–351
in mesitylene hydrodealkylation, 347
in multiple reactions, 307–309, 347–351
in parallel reactions, 318temperature effects on, 312–314for Trambouze reactions,
312–317Self-heating rate with calorimeters,
607Semibatch reactors, 215–216
energy balance of, 477, 615, 626with heat exchangers, 614–619for liquid-phase reactions,
21–22multiple reactions in, 625–627ODE solver for, 230substrate inhibition in, 417unsteady-state operation in,
217–226Semiconductor fabrication,
299–300, 698Chemical Vapor Deposition in,
701–704etching in, 700
Semilog plots, 96, 1027Sensors, microreactors for, 203Separable kinetics, 707–708, 716Separating variables with pressure
drop, 186Separation systems, economic
incentive for, 307Sequencing of reactors, 64–66Series, reactors in, 54–55
combinations, 60–64
CSTRs, 55–58design, 158–160, 166–167PFRs, 58–60RTDs for, 897–901
Series reactions, 305–307blood clotting, 325–326desired product in, 320–326in mass transfer-limited reac-
tions, 789Severe eye irritants, 392Shaft work in energy balance, 474Shell balances
on catalyst pellets, 816in diffusion, 767
Sherwood numbersin mass transfer coefficient,
775–776in mass transfer correlations,
785Shrinking core model, 792–793
catalyst regeneration in, 793–797
pharmacokinetics, 798–799Shuler, M. L., 420–421Sickle-cell disease, 898Silicon and silicon dioxide
design problems for, 588for microelectronic devices,
299–300, 699Simplifications
in rate data analysis, 254in triphenyl methyl chloride-
methanol reaction, 261Simpson’s one-third rule, 1014Simpson’s three-eighths rule, 1014Simpson’s three-point formula
for isomerization of butane, 64for PFRs in series, 60
Single particles, mass transfer to, 776–780
Single-site mechanismsrate-limiting in, 677–678, 684surface reactions in, 666–667,
684Sintering, 709–712Site balance in adsorption iso-
therms, 661Sizing
heat exchangers, 519interstage heat, 518reactors. See Conversion and
reactor sizingrelief valves, 605–614
Skewness in RTD moments, 881Skin, nitrogen gas exposure to,
804Slopes on semilog paper, 1027
fogler.book Page 1075 Thursday, July 21, 2005 11:48 AM
1076 Index
Sloppy tracer inputs, 970–973Slow reactions
CSTR startup in unsteady-state operation, 217
in mass transfer to single parti-cles, 779
Slurry reactors, 369, 849–850, 853Small molecule synthesis, 420Small-scale operations, 10Smog formation, 32–33, 392–393Soap, saponification for, 104–105Sodium bicarbonate, ethylene gly-
col from, 246Sodium hydroxide in saponifica-
tion, 105Software packages, 1049–1050.
See also specific software packages by name
Aspen, 1031FEMLAB, 1031–1032instructions for, 1015MATLAB, 1031Polymath, 1029–1030
Solid catalysts in PBRs, 17–18Solids in CSTRs, 290–291Solvents from ethylene oxide, 191Space flights, 785–788Space satellite maneuvering,
785–788Space time
in catalyst decay, 719in CSTR modeling, 986definition, 66–67in dispersion coefficient deter-
mination, 970Space velocity, 68–69Spaghetti, cooking, 236Spartan program, 379Spartanol, wulfrene and carbon
dioxide from, 751–752Specialty chemicals, 203Species, 4–5
mole balances on, 8–9net rates of reaction for,
329–330and variable volumetric flow
rate, 112–113Specific reaction rate, 82, 91–98Specifications in ethylene glycol
production, 153Spectroscopic measurements, 684Spheres, mass transfer coefficient
for, 777Spherical bacteria growth, 421Spherical catalyst pellets, 814
differential equation for, 816–819, 822–823
dimensionless form, 819–822effective diffusivity in, 814–816for tissue engineering, 823–827
Spherical reactorsin pressure drop, 196professional reference shelf for,
232Spread of distributions, 881Square of the standard deviation,
881Squares of difference, 275Stability diagrams, 542–543Stability rates
in CSTR unsteady-state opera-tion, 619
in linearized stability theory, 631–632
in propylene glycol production, 622
Stagnant film, diffusion through, 762, 774
Stagnant gases, diffusion through, 763
Standard deviation, 881Standard temperature and pressure
(STP) in space velocity, 68Starch, hydrolysis of, 461–462Startup of CSTRs, 216–217,
619–622State equation in batch reactors,
109Stationary phase
in cell growth, 423substrate balance in, 432
Steady-state bifurcation, 567, 588Steady state in CSTRs, 13Steady-state molar flow rates,
479–481Steady-state nonisothermal
reactors, 471adiabatic operation. See Adia-
batic operationsCD-ROM material, 566–568CSTRs with heat effects, 522–532energy balance. See Energy
balancesequilibrium conversion. See
Equilibrium conversionsinformation required for,
472–473journal critique problems, 589multiple chemical reactions, 543
in CSTRs, 548–551in PFRs, 544–547
multiple steady states, 533heat of generation in,
534–536
heat-removed terms in, 533–534
ignition-extinction curves in, 536–540
runaway reactions in CSTRs, 540–543
practical side, 561–562questions and problems,
566–588summary, 563–565supplementary reading, 589–590tubular reactors radial and axial
variations, 551–561tubular reactors with heat
exchange, 495, 502–504balance on coolant in,
499–511PFR energy balance in,
495–499Step tracer experiment, 876–878Stern-Volmer Equation, 384–386Stirred reactors
batch, 290–291CSTRs. See Continuous-stirred
tank reactors (CSTRs)unsteady-state operation of,
215–216semibatch reactors, 217–226startup of CSTRs, 216–217
Stoichiometric coefficientsin conversion, 38in relative rates of reaction, 81
Stoichiometry, 79, 99acetaldehyde formation, 322acetic acid production, 610acetic anhydride production,
505adiabatic equilibrium tempera-
ture, 513ammonia oxidation, 353batch systems, 100–106butane isomerization, 490, 498catalyst decay, 718–719catalyst sintering, 710–711CD-ROM material, 126–130,
139–140cell growth, 426–430complex reactions, 328,
334–335coolant balance, 502–503CSTRs
batch operations, 149–150with cooling coils, 531single, 157
ethyl acetate saponification, 617ethylene glycol production, 154,
164
fogler.book Page 1076 Thursday, July 21, 2005 11:48 AM
Index 1077
ethylene oxide production, 191–192
flow systems, 106–123gas phase, 201–202glucose-to-ethanol fermenta-
tion, 433isothermal reactors, 199mean conversion, 913membrane reactors, 212, 350mesitylene hydrodealkylation
in CSTRs, 345in PFRs, 341–342
moving-bed reactor catalytic cracking, 726
multiple reactions, 336–339, 350, 626
net rates of reaction, 330–331nitroanaline production, 601nitrogen oxide production, 205parallel reactions, 546PBRs, 336–339PFRs
with heat effects, 546multiple reactions, 336–339reactor volume, 146–147
pressure drop, 176, 186propylene glycol production,
528–529, 596, 620questions and problems,
131–140semibatch reactors, 626steady-state nonisothermal reac-
tors, 472STTRs, 731summary, 125–126supplementary reading, 141toluene hydrodemethylation
reactors, 695triphenyl methyl chloride-meth-
anol reaction, 261tubular reactors
adiabatic, 488design, 169, 173radial and axial variations in,
559Stomach in alcohol metabolism,
442–443STP (standard temperature and
pressure) in space velocity, 68
Straight-through transport reactors (STTRs)
catalyst deactivation in, 728–732
evaluation of, 290–291Streptomyces aureofaciens,
437–438
Stuart Prower factor, 326Styrene from ethylbenzene, 211,
585–586Subscripts, 1035Substrates
in cell growth, 421, 427–430and dilution rate, 437disappearance of, 400, 431–432in enzyme-substrate complex,
395–397inhibition by, 412, 414,
416–417, 466–467mass balances, 431–432in Michaelis-Menten equation,
400, 405in microelectronic fabrication,
698multiple systems, 417–418, 453
Sulfunation reactions, 347Sulfuric acid
in DDT production, 6in ethylene glycol production,
197–198professional reference shelf for,
568Sums of squares
for ethylene hydrogenation to ethane, 706–707
in multiple reaction analysis, 356
in nonlinear regression, 272, 274, 277
Superficial mass velocity, 196Supplementary reading
active intermediates, enzymatic reactions, pharmacokinetic models, and bioreactors, 469–470
catalysts, 755–756conversion and reactor sizing, 77diffusion, 810–811, 865–866isothermal reactor design, 252mole balances, 35–36multiple reactions, 375nonideal reactors, 1005nonisothermal reactors
steady-state, 589–590unsteady-state, 644
rate data collection and analysis, 303–304
rate laws and stoichiometry, 141RTDs, 944
Supported catalysts, 649Surface area
in catalyst sintering, 709in hydrazine decomposition,
786–788
in mass transfer-limited reac-tions, 790
in membrane reactors, 210in microreactors, 201of spherical catalyst pellets, 818
Surface-catalyzed reactions, 203Surface-reaction-limited operations
cumene decomposition, 680irreversible isomerization,
687–688irreversible rate laws, 684
Surface reactionsin catalysts, 666–668in CVD, 701in microelectronic fabrication,
698in packed bed transfer-limited
reactions, 849rapid, 777–779rate laws for, 673, 686rate-limiting, 677–678in toluene hydrodemethylation,
691Surfaces
catalyst, 776–780in effectiveness factor, 837in mass transfer to single parti-
cles, 778metallic, 801
Surfactants from ethylene oxide, 191
Sweetland, Ben, 945Swimming rate of small organ-
isms, 858–859Synthesizing chemical plant
design, 196–198Synthetic rubber production, 654System volume in mole balance
equation, 8Szent-Gyorgyi, Albert, 813
T
T-Amyl Methyl Ether (TAME), 584
Tailsfitting, 935in pulse input experiment, 875
Tanks-in-series (T-I-S) modelsconversion in, 971–973vs. dispersion models, 974nonideal, 948–955one-parameter, 947vs. segregation model, 953–955
Tarzlon, 364–365Taylor, H. S., 650
fogler.book Page 1077 Thursday, July 21, 2005 11:48 AM
1078 Index
Taylor-Couette flow device, 898Taylor series for energy balance,
523TBA (butyl alcohol), 740TCC (thermofor catalytic crack-
ing) units, 723Temperature, 471. See also Heat
effectsand activation energy, 97–98in adsorption, 663in catalyst deactivation,
721–722in cell growth, 425conversion factors for, 1018in CSTRs, 13, 22in diffusion, 770in enzymatic reactions, 407in ethylene oxide production,
193in fluidized-bed reactors, 24in internal effectiveness factor,
831–832in mass transfer correlations,
783in mass transfer to single parti-
cles, 778nonisothermal reactors
steady-state. See Steady-state nonisothermal reactors
unsteady-state. See Unsteady-state nonisothermal reac-tors
in rate laws, 87, 687–688in runaway reactions, 540–543selectivity affected by, 312–314in state equations, 109
Temperature-concentration phase planes, 619
Terephthalic acid (TPA), 367Termination step in chain reac-
tions, 386Termolecular reactions, 80Tessier equation, 424–425Testing new processes, batch reac-
tors for, 10Thermal conductivity, 554, 558Thermal cracking of ethane,
387–392Thermal decomposition of isopro-
pyl isocyanate, 301Thermal diffusivity in mass trans-
fer coefficient, 776Thermodynamic equilibrium con-
stant, 89, 1021–1026Thermodynamically limited reac-
tions, 207, 225–226Thermodynamics
equilibrium conversion from, 514
first law of, 473–474in reversible reactions, 91
Thermofor catalytic cracking (TCC) units, 723
Thiele modulusin cartilage forming cells,
825–826in falsified kinetics, 833internal, 839–841in internal effectiveness factor,
829, 832–833in spherical catalyst pellets,
819–823Third-order reactions, 84Thoenes, D., Jr., 784Thoenes-Kramers correlation
in flow through packed beds, 784
in hydrazine decomposition, 786in Mears’ criterion, 842in nitrous oxide reductions, 847
Three-eighths rule, 1014Three-phase reactors, 849–850Three-point differentiation formu-
las, 258–259Three-point rule, 1014Thrombin in blood clotting, 326Thrusters, monopropellant,
785–786Tic Tac module, 236Time
in batch reactors, 151concentration, 256reactant, 39–40
in energy rate change, 1019in growth rates, 425in half-lives methods, 280–281
Time function in semibatch reac-tors, 219
Time order of magnitude in scale-up, 151
Timmerhaus, K. D., 23Tissue engineering, 823–827, 855Tissue factor in blood clotting,
325–326Tissue water volume (TWV),
440–441Titanium dioxide, 746TOF (turnover frequency), 651Toluene
hydrodemethylation of, 87, 688–698
from methylcyclohexane, 746–747
xylene from, 649, 749–750
Tortuosity in effective diffusivity, 815–816
Total collective mass, 5Total concentrations in flow reac-
tors, 116–117Total cycle time in scale-up, 151Total energy in first law of thermo-
dynamics, 473Total enzyme concentration,
398–399Total mass, 5Total molar flow rate
in flow reactors, 111–112in gas phase, 201in PFR/PBR multiple reactions,
336–339Total volume
CSTRs in series, 57–58PFRs in series, 59
Toxic intermediates, 203TPA (terephthalic acid), 367Tracers
CSTR parameter modeling, 981–985, 987
dispersion coefficient determina-tion, 966–967
dispersion model, 956–957pulse input experiment, 874RTDs, 871, 887step tracer experiment, 876–878T-I-S model, 949tubular reactors, 970–973two-parameter models, 979
Trains of reactors with interstage heating, 577
Trambouze reactions, 312–317Transdermal drug delivery, 772Transfer. See Mass transfersTransferases enzymes, 397Transition state theory, 128–129Transition states and energy barri-
ers, 92Translation in transition state the-
ory, 129Transport
with catalysts, 657in membrane reactors, 210, 212,
349Trapezoidal rule, 1013Trial and error method, 988Trickle bed reactors, 849–850,
853–854Triethanolamine formation, 306Triphenyl methyl chloride, metha-
nol reaction with, 260–266Trityl-methanol reaction, 269–271,
277
fogler.book Page 1078 Thursday, July 21, 2005 11:48 AM
Index 1079
Troubleshooting, 891–892corrosion, 132–133CSTRs, 892–895isothermal reactors, 239–240olefin formation, 643reactor systems, 580–581tubular reactors, 895–897
Truman, Harry S, 471Tubes
in microreactors, 201in pressure drop, 190
Tubular reactors, 14–17, 241design equations for, 44, 99designing, 168–171for ethylene production, 171–175gas-phase reactions, 14, 23,
169–171hemoglobin deoxygenation in,
295nonideal, 947–948
balance equations in, 957boundary conditions in,
958–962dispersion in, 955–957,
962–964dispersion coefficient correla-
tion in, 964–966dispersion coefficient deter-
mination in, 966–970sloppy tracer inputs in,
970–973plug-flow. See Plug-flow reac-
tors (PFRs)radial and axial variations in,
551–561RTDs for, 895–897space time in, 67
Turbulent diffusion, 955Turbulent flow
in packed bed pressure drop, 184in pipes, 964–965
Turnover frequency (TOF), 651Turnover number in Michaelis-
Menten equation, 399Two-parameter models for non-
ideal reactors, 945, 948, 979–987
Two-point rule, 1013TWV (tissue water volume),
440–441Tyrosinase, 395
U
Ultrasonic waves, light from, 384–386
Unbound enzyme concentration, 398
Uncompetitive inhibition, 412–413Underground wet oxidation prob-
lem, 1040Undesired products in multiple
reactions, 307–309Uniform surfaces, adsorption in,
666Unimolecular reactions, 80Units, conversion factors for,
1018–1019Unsteady-state nonisothermal reac-
tors, 591batch reactors
adiabatic operation, 594–598with interrupted isothermal
operation, 599–605CD-ROM material, 630–632CSTR operation
energy balance of, 477startup, 216–217, 619–622steady state falloff in, 622–624
energy balance in, 477, 591–594mole balances for, 198, 593multiple reactions, 625–627PFRs, 628questions and problems,
633–643safety in, 605–614semibatch reactors, 614–619summary, 629–630supplementary reading, 644
Unsteady-state operation of stirred reactors, 215–216
semibatch, 217–226startup, 216–217, 619–622steady state falloff in, 622–624
Unsteady-state tracer balance, 966–967
Unsupported catalysts, 649Unwanted products in parallel
reactions, 319–320Upadhyay, S. N., 785Urea removal, 398–399
batch reactor calculations for, 404–407
Michaelis-Menten equation for, 399–404
Urease, 397–399Used reactors, 23
V
Vacant sites in cumene adsorption, 676
Valvesin microreactors, 203relief, 605–613
Van de Vusse kinetics, 360–361, 371
Vanadium oxides, 745–746Vanadium triisopropoxide
(VTIPO), 745–746Van’t Hoff’s equation, 1022Vapor-phase cracking, 751Vapor-phase reactions, irreversible
endothermic, 575–576Variable heat capacities, 567–568Variable temperature
for acetic anhydride, 510–511in energy balance, 478
Variable volumebatch reactors with, 109–111in gas phase flow systems, 108
Variable volumetric flow rate, 111–123
Variancein ethylene hydrogenation to
ethane, 706–707in RTDs, 881–883, 886in T-I-S model, 950–951
Vat reactors. See Continuous-stirred tank reactors (CSTRs)
Vejtasa, S. A., 538–539Velocity
of fluid in mass transfer to sin-gle particles, 779
space, 68–69Velocity profiles in tubular reac-
tors, 947dispersion, 962radial and axial variations, 556
Venkatesan, R., 785Verbal learners, 1047Vermont Safety Information on the
Internet (Vermont SERI), 167
Vessel boundary conditionsin dispersion coefficient deter-
mination, 968–970in tubular reactors, 959–960
Vessel dispersion number, 958Vibration in transition state theory,
129Vibrational degrees of freedom,
378Vinyl allyl ether, 3Viscosity
conversion factors for, 1018in diffusion, 761of helium, 786
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1080 Index
Viscosity (cont.)in mass transfer coefficient, 776
Visual Encyclopedia of Equip-ment, 27
Visual learners, 1047Volume. See Reactor volumeVolume-average particle diameter
in hydrazine decomposi-tion, 786
Volumetric feed rate in chemostats, 434
Volumetric flow, 107CSTR parameter modeling, 983differential reactors, 282–283ethylene oxide production, 194flow reactors, 114methane production, 284–285pulse input experiment, 873RTDs, 880–881, 889T-I-S models, 949tubular reactors, 171variable, 111–123
Voorhies, A., 712VTIPO (vanadium triisopro-
poxide), 745–746
W
Wafer fabrication, 299–300, 698–699
Chemical Vapor Deposition in, 701–704
etching in, 700Warnicki, J. W., 898
Wash-out in cell growth, 436–438Washington, Booker T., 79Water, light from, 384–386Water-gas shift reaction
in coal gasification, 103equilibrium constant in,
1024–1026Watson, K. M., 670Web sites for rate law data, 1037Weber, M., Jr., 870Weekman, V. W. , 289Weighted least squares analysis, 293Weisz-Prater criterion, 839–841Wen, C. Y.
on RTD moments, 881on tracer techniques, 878
Wet etching, 700Wet oxidation problem, 1040What if conditions for mass trans-
fer coefficients, 788–792White, D. H., 879Wilkinson, P. K., 446Wine-making, 424–425Wolf, D., 879Wooden, John, 37Work, conversion factors for, 1018Work term in energy balance,
474–476Wulfrene from spartanol, 751–752
X
Xyleneisomers in, 584–585
from methane, 649from toluene, 649, 749–750
Y
Yeastsdoubling times for, 425growth of, 421saccharomyces cerevisiae
production, 300Yields
in bioconversions, 419in cell growth, 426, 429–430
Yogurt, postacidification in, 459
Z
Zeolite catalysts, 649Zero-order reactions, 83
in batch reactor data analysis, 267
exothermic liquid-phase, 579Zero-parameter models, RTDs for
maximum mixedness model, 915–922
maximum mixedness predic-tions, 922–923
segregation model, 904–914Zewail, Ahmed, 379Zwietering, T. N.
on maximum mixedness, 922on segregation model, 904
Zymononas bacteria, 240
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