Startseite Dynamic Modeling of CATOFIN® Fixed-Bed Iso-Butane Dehydrogenation Reactor for Operational Optimization
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Dynamic Modeling of CATOFIN® Fixed-Bed Iso-Butane Dehydrogenation Reactor for Operational Optimization

  • Zeeshan Nawaz EMAIL logo
Veröffentlicht/Copyright: 22. Dezember 2015
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International Journal of Chemical Reactor Engineering
Aus der Zeitschrift International Journal of Chemical Reactor Engineering Band 14 Heft 1

Abstract

The catalytic dehydrogenation of iso-butane to iso-butylene is an equilibrium limited endothermic reaction and requires high temperature. The catalyst deactivates quickly, due to deposition of carbonaceous species and countered by periodic regeneration. The reaction-engineering constraints are tied up with operation and/or technology design features. CATOFIN® is a sophisticated commercialized technology for propane/iso-butane dehydrogenation using multiple adiabatic fixed-bed reactors having Cr2O3/Al2O3 as catalyst, that undergo cyclic operations (~18–30m); dehydrogenation, regeneration, evacuation, purging and reduction. It is always a concern, how to maintain CATOFIN® reactor at an optimum production, while overcoming gradual decrease of heat in catalyst bed and deactivation. A homogeneous one-dimensional dynamic reactor model for a commercial CATOFIN® fixed-bed iso-butane dehydrogenation reactor is developed in an equation oriented (EO) platform Aspen Custom Modeler (ACM), for operational optimization and process intensification. Both reaction and regeneration steps were modeled and results were validated. The model predicts the dynamic behavior and demonstrates the extent of catalyst utilization with operating conditions and time, coke formation and removal, etc. The model computes optimum catalyst bed temperature profiles, feed rate, pre-heating, rates for reaction and regeneration, fuel gas requirement, optimum catalyst amount, overall cycle time optimization, and suggest best operational philosophy.

Keywords: CATOFIN®; iso-butane dehydrogenation; adiabatic fixed-bed reactor; dynamic reactor modeling; iso-butylene; Aspen Custom Modeler (ACM).

Nomenclature

FH

Fixed horizon

DOS

Days on Stream

PI

Profit Index

DRO

Dehydrogenation Reactor Optimization

HC

Hydrocarbon

MOR

Middle of Run

EOR

End of Run

EORXR

Equation Oriented reactor

RL

Run Length

A

Cross sectional area of reactor (m2)

a

Interfacial area (m2/m3)

Amean

Pre-exponential factor

CA

molar concentration of A (mol/m3)

Cpg, j

Specific heat capacity of gas at node j (J/mol/K)

Cp, in

Specific heat capacity of external feed added (J/mol/K)

Cis, r

Molar concentration of species i at radial location r (mol/m3)

csg

specific heat of gas (J/kg∙oC)

Ci

Molar concentration of species i in bulk gas (mol/m3)

cscat

specific heat of gas [J/(kg∙oC)]

Dies

Effective diffusivity of species i (m2/s)

Dim

Gas molecular diffusion of species I (m2/s)

Dik

Knudsen diffusivity of species I (m2/s)

dp

Diameter of catalyst particle (m)

Dzg

axial dispersion coefficient (m2/s)

E

Activation Energy

Fi

Flow rate of species I (mol/s)

Ftotin

External total feed addition (mol/s)

Ftot

Total flow rate of all species (mol/s)

FV

actual volumetric flow rate (m3/s)

G

Gas flux (kg/s/m2)

hg

Bed heat transfer coefficient (W/m2/K)

∆Hr, n

Heat of reaction n (J/mol)

k

Arrhenius type kinetic constant

K

Absorption equilibrium constant

kig

Mass transfer coefficient of species I (m/s)

MWi

Molecular weight of species I (kg/kmol)

Ps, r

Partial pressure of species i at radial location r (bar)

Pi

Partial pressure of species i in bulk gas (bar)

∆P

Bed pressure drop (Pa)

Rg

Gas constant (J/mol/K)

rrn

Rate of reaction n (mol/kgcat/s)

RAS

production/consumption of A per unit volume of solid (mol/(m3cats))

Rpore

Radius of pore (m)

r

Radial position in pellet (m)

rrk

rate of reaction k per unit volume of solid (mol/(m3cats))

ST

Stichometric Matrix

Tin

Temperature of external feed added (oC)

T

Temperature of bulk gas (oC)

Ts, r

Pellet temperature at radial location r (oC)

Δt

time increment (s)

u

Superficial velocity of gas (m/s)

w

actual velocity in the empty reactor tube (m/s)

wcoke

Carbon loaded on catalyst (Kg/m3)

yiin

Mole fraction of species i in external feed added (kmol/kmol)

yi

Mole fraction of species i (kmol/kmol)

z

Axial distance from reactor inlet (m)

Δz

Space increment (m)

ρb

Bulk density of catalyst (kg/m3)

vn, i

Stoichiometry of species i in reaction n

ηk

effectiveness factor for reaction k

ηn

Effectiveness factor for reaction n

ρg

Molar density of gas (mol/m3)

ρp

Catalyst Density (kg/m3)

λs

Effective thermal conductivity (W/m/K)

λze

effective axial thermal conductivity of the catalyst bed (J/(oC·m·s))

εb

Bed voidage

ρmass

Density of gas (kg/m3)

ρcat

gas density (kg/m3)

µg

Viscosity of gas (kg/m/s)

εs

Particle porosity

τ

Particle tortuosity

Acknowledgment and forward statement

Author acknowledged the technical support of Prof. Ing. Dr. Tedor Todinca, Faculty of Chemical Engineering and Food Technology, University Politechenica Timisoara, Romania. Moreover, the article may contain forward-looking statements based on assumptions, knowledge based forecasts, known and unknown risks, uncertainties, financial situation, development or performance and the estimates/designs presented here. Therefore, author or company assumes no liability whatsoever to update these forward-looking statements or to conform them to future events or developments.

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Published Online: 2015-12-22
Published in Print: 2016-2-1

©2016 by De Gruyter

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  2. Review
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  47. Effect of Biomass Compositions on Combustion Kinetic Parameters using Response Surface Methodology
  48. Short Communications
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  51. Oxidative-Extractive Desulfurization of Liquid Fuel by Dimethyl Sulfoxide and ZnCl2 Based Ionic Liquid
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https://doi.org/10.1515/ijcre-2015-0087
Schlagwörter für diesen Artikel
CATOFIN®; iso-butane dehydrogenation; adiabatic fixed-bed reactor; dynamic reactor modeling; iso-butylene; Aspen Custom Modeler (ACM).

Artikel in diesem Heft

  1. Frontmatter
  2. Review
  3. Novel Membrane Reactor Concepts for Hydrogen Production from Hydrocarbons: A Review
  4. Research Articles
  5. Modeling and Simulation Study of an Industrial Radial Moving Bed Reactor for Propane Dehydrogenation Process
  6. Oxidative Degradation of Methylene Blue in Aqueous Medium Catalyzed by Lab Prepared Nickel Hydroxide
  7. CFD Modelling of a Hollow Fibre Membrane for CO2 Removal by Aqueous Amine Solutions of MEA, DEA and MDEA
  8. Performance Study of a Thermally Double Coupled Multi-Tubular Reactor by Considering the Effect of Flow Type Patterns
  9. Radiative Three-Dimensional Flow with Chemical Reaction
  10. Three-Phase Model of a Fluidized-Bed Catalytic Reactor for Polyethylene Synthesis
  11. Study on the Effect of Nickel Doping on Mo-Bi Based Catalyst for Selective Oxidation of Isobutene to Methacrolein
  12. DM Water Plant Sedimentation as a Cheap and Waste Source of Catalyst for Biodiesel Production
  13. Recovery of Biogas from Meat Industry Wastewater Using Continuously Stirred Tank Reactor (CSTR): Modeling and Optimization
  14. Comparison of CFD Simulation and Simplified Modeling of a Fluidized Bed CO2 Capture Reactor
  15. Kinetic Study for Platinum Extraction from Spent Catalyst in Cyanide Solution at High Temperatures
  16. Hydroisomerization of Biomass Derived n-Hexadecane Towards Diesel Pool: Effect of Selective Removal External Surface Sites from Pt/ZSM-22
  17. Heat Flux and Variable Thermal Conductivity Effects on Casson Flow and Heat Transfer due to an Exponentially Stretching Sheet with Viscous Dissipation and Heat Generation
  18. Optimization of Nickel Chemical Extraction from Hazardous Residue
  19. Green Approach for Biodiesel Production from Jojoba Oil Supported by Process Modeling and Simulation
  20. Differentiating Process Performance of Various Coagulants in Removal of Congo red and Orange G Dyes
  21. CFD Simulation of Hydrodynamic of a Bubble Column Reactor Operating in Churn-Turbulent Regime and Effect of Gas Inlet Distribution on System Characteristics
  22. Transformation of Phenolic Compounds by Fe(III) in the Aqueous Solution in Dark and Under Irradiation
  23. Transient Predictive Model for Dynamic Analysis, Kinetic Study, and Reactor Design of Triglycerides Transesterification to Biodiesel
  24. Screening of Alternative Carbon Sources for Recombinant Protein Production in Pichia pastoris
  25. Optimization of a Large Scale Industrial Reactor Towards Tailor Made Polymers Using Genetic Algorithm
  26. Model of Reactive Transport within a Light Photocatalytic Textile
  27. Preparation of Chitosan based Nanofibers: Optimization and Modeling
  28. Adsorption of As (III) on Iron Coated Quartz Sand: Influence of Temperature on the Equilibrium Isotherm, Thermodynamics and Isosteric Heat of Adsorption Analysis
  29. Resistance Characteristics of Coal Slime in Pipe Flow at High Pressure
  30. Activity Comparison of Acidic Resins in the Production of Valuable Glycerol Acetates
  31. Bulk Polymerization of Styrene using Multifunctional Initiators in a Batch Reactor: A Comprehensive Mathematical Model
  32. An Effective Reaction Rate Model for Gas-Solid Reactions with High Intra-Particle Diffusion Resistance
  33. Heart-Like Micro-Flow Mixer
  34. Hydrogen Production by Hydrolysis of NaBH4 with Cr-Ni-W-B Catalyst: Effects of Cold Plasma and Chromium Content
  35. Prediction of Reactivity Ratios in Free Radical Copolymerization from Monomer Resonance–Polarity (Q–e) Parameters: Genetic Programming-Based Models
  36. Steady-State Modeling of Pt-Catalyzed H2 Combustion in a Monolithic Reactor: From Micro- to Macro-kinetics
  37. Premixed Methanol–Air Combustion Characteristics in a Mini-scale Catalytic Combustor
  38. Kinetic Modeling of VOC Photocatalytic Degradation Using a Process at Different Reactor Configurations and Scales
  39. Improvement of Activated Sludge Process Using a Nonlinear PI Controller Design via Adaptive Gain
  40. Modeling and Simulation of a Pilot-Scale Bubbling Fluidized Bed Gasifier for the Gasification of High Ash Indian Coal Using Eulerian Granular Approach
  41. Performance of a Catalytic Gas–Solid Fluidized Bed Reactor in the Presence of Interparticle Forces
  42. Mathematical Modeling of Biodiesel Production under Intense Agitation
  43. Extended Aeration Activated Sludge Reactor (EAASR) for Removal of Nitrobenzene: Air Stripped or Biologically Removed?
  44. CFD Modeling of Algae Flash Pyrolysis in the Batch Fluidized Bed Reactor Including Heat Carrier Particles
  45. A Robust Extended State Observer for the Estimation of Concentration and Kinetics in a CSTR
  46. Dynamic Modeling of CATOFIN® Fixed-Bed Iso-Butane Dehydrogenation Reactor for Operational Optimization
  47. Effect of Biomass Compositions on Combustion Kinetic Parameters using Response Surface Methodology
  48. Short Communications
  49. Discussions on Particle Flux Measurement in Gas-Solids Risers
  50. Use of New Regeneration Processes for Thermolabile Amines
  51. Oxidative-Extractive Desulfurization of Liquid Fuel by Dimethyl Sulfoxide and ZnCl2 Based Ionic Liquid
  52. Corrigendum
  53. Corrigendum to: Performance Analysis of Immobilized Enzyme Semifluidised Bed Bioreactors
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© 2025 De Gruyter Brill
Heruntergeladen am 16.11.2025 von https://www.degruyterbrill.com/document/doi/10.1515/ijcre-2015-0087/html
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