Modeling and Simulation of Catalytic Reactors

Modeling and Simulation of Catalytic Reactors for Petroleum Refining describes the main conversion processes used in the petroleum refining industry: catalytic hydrotreating, catalytic reforming, and fluid catalytic cracking. It explains and analyzes approaches for modeling of catalytic reactors for steady-state and dynamic simulations and discusses aspects such as thermodynamics, reaction kinetics, process variables, process scheme, and reactor design. It uses laboratory and commercial data to validate models developed. This is an essential reference for chemical and process engineers, computational chemists and modelers, catalysis researchers, and professionals in the petroleum industry.

JORGE ANCHEYTA, PhD, is a research and development project leader at the Mexican Petroleum Institute (IMP) and professor at the National Polytechnic Institute of Mexico. Dr. Ancheyta has been awarded the Highest Level (III) National Researcher Distinction by the Mexican government and is a member of the Mexican Academy of Science. He has also served as a guest editor of various international journals including Catalysis Today, Petroleum Science and Technology, Industrial & Engineering Chemistry Research, Energy & Fuels, and Fuel.

Precase	p. ix
About The Author	p. xii
Petroleum Refining	p. 1
Properties of Petroleum	p. 1
Assa y of Crude Oils	p. 4
Separation Processes	p. 10
Crude Oil Pretreatment: Desalting	p. 10
Atmospheric Distillation	p. 12
Vacuum Distillation	p. 13
Solvent Extraction and Dewaxing	p. 13
Deasphalting	p. 14
Other Separation Processes	p. 15
Upgrading of Distillates	p. 17
Catalytic Reforming	p. 18
Isomerization	p. 18
Alkylation	p. 21
Polymerization	p. 23
Catalytic Hydrotreating	p. 25
Fluid Catalytic Cracking	p. 27
Upgrading of Heavy Feeds	p. 29
Properties of Heavy Oils	p. 29
Process Options for Upgrading Heavy Feeds	p. 31
Reactor Modeling In The Petroleum Refining Industry	p. 53
Description of Reactors	p. 53
Fixed-Bed Reactors	p. 56
Slurry-Bed Reactors	p. 62
Deviation from an Ideal Flow Pattern	p. 63
Ideal Flow Reactors	p. 63
Intrareactor Temperature Gradients	p. 66
Intrareactor Mass Gradients	p. 69
Wetting Effects	p. 77
Wall Effects	p. 81
Kinetic Modeling Approaches	p. 86
Traditional Lumping	p. 86
Models Based on Continuous Mixtures	p. 99
Structure-Oriented Lumping and Single-Event Models	p. 101
Reactor Modeling	p. 102
Classification and Selection of Reactor Models	p. 102
Description of Reactor Models	p. 106
Generalized Reactor Model	p. 155
Estimation of Model Parameters	p. 176
References	p. 188
Nomenclature	p. 203
Modeling Of Catalytic Hydrotreating
The Hydrotreating Process	p. 211
Characteristics of Hdt Reactors	p. 213
Process Variables	p. 220
Other Process Aspects	p. 229
Fundamentals of Hydrotreating	p. 241
Chemistry	p. 241
Thermodynamics	p. 243
Kinetics	p. 246
Catalysts	p. 258
Reactor Modeling	p. 261
Effect of Catalyst Particle Shape	p. 261
Steady-State Simulation	p. 269
Simulation of a Commercial Hdt Reactor with Quenching	p. 273
Dynamic Simulation	p. 283
Simulation of Countercurrent Operation	p. 293
References	p. 304
Nomenclature	p. 308
Modeling Of Catalytic Reforming
The Catalytic Reforming Process	p. 313
Description	p. 313
Types of Catalytic Reforming Processes	p. 316
Process Variables	p. 318
Fundamentals of Catalytic Reforming	p. 319
Chemistry	p. 319
Thermodynamics	p. 321
Kinetics	p. 322
Catalysts	p. 330
Reactor Modeling	p. 331
Development of the Kinetic Model	p. 331
Validation of the Kinetic Model with Bench-Scale Reactor -Experiments	p. 345
Simulation of Commercial Semiregenerative Reforming Reactors	p. 350
Simulation of the Effect of Benzene Precursors in the Feed	p. 357
Use of the Model to Predict Other Process Parameters	p. 361
References	p. 364
Nomenclature	p. 366
Modeling And Simulation Of Fluidized-Bed. Catalytic Cracking Converters	p. 368
Rafael Maya-Yescas
Introduction	p. 370
Description of the Process	p. 370
Place of the Fcc Unit Inside the Refinery	p. 371
Fractionation of Products and Gas Recovery	p. 373
Common Yields and Product Quality	p. 373
Reaction Mechanism of Catalytic Cracking	p. 374
Transport Phenomena, Thermodynamic Aspects, and Reaction Patterns	p. 374
Lumping of Feedstock and Products	p. 376
More Detailed Mechanisms	p. 378
Simulation to Estimate Kinetic Parameters	p. 378
Data from Laboratory Reactors	p. 379
Data from Industrial Operation	p. 384
Simulation to Find Controlling Reaction Steps During Catalytic Cracking	p. 385
Simulation of Steady Operation of the Riser Reactor	p. 387
Simulation to Scale Up Kinetic Factors	p. 390
Simulation of the Regenerator Reactor	p. 393
Simulation of the Burning of Nonheterogeneous Coke	p. 393
Simulation of Side Reactions During the Burning of Heterogeneous Coke	p. 402
Simulation of the Energy Balance in the Regenerator	p. 409
Modeling the Catalyst Stripper	p. 410
Simulation of a Controlled Fcc Unit	p. 411
Mathematical Background	p. 412
Controllability of the Regenerator	p. 415
A Technique to Regulate T_regenerator in Partial Combustion Mode	p. 423
Technological Improvements and Modifications	p. 438
Effect of Feedstock Pretreatment	p. 438
Pilot-Plant Emulation	p. 453
The Sulfur Balance	p. 459
Conclusions	p. 466
References	p. 468
Nomenclature	p. 472
Index	p. 475
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Modeling and Simulation of Catalytic Reactors for Petroleum Refining

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