Abstract
In this study, a steady-state heterogeneous one-dimensional model predicts the performance of a thermally double coupled auto-thermal multi-tubular reactor for simultaneous production of hydrogen, benzene, methanol and dimethyether (DME) in an economical approach for both co- and counter- current modes of operation. Reversed flow of cyclohexane has been considered for the counter-current flow regime. The simulation results for co- and counter-current modes have been investigated and compared with corresponding predictions for conventional methanol reactor and traditional coupled methanol reactor. In addition, various operating parameters along the reactor have been studied. The simulation results present that methanol yield in co- and counter- current modes are reached to 0.3735 and 0.3363 in a thermally double coupled reactor, respectively. Also, results for counter-current mode show a superior performance in hydrogen and benzene production. Finally, the results of simulation illustrate that the coupling of these reactions could be beneficial.
Nomenclature
| Parameter | Unit | Definition |
| av | m2 m−3 | specific surface area of catalyst pellet |
| Ac | m2 | cross section area of each tube |
| Ao | m2 | inside area of inner tube |
| Ai | m2 | outside area of inner tube |
| C | mol m−3 | total concentration |
| Cp | J mol−1 | specific heat of the gas at constant pressure |
| dp | m | particle diameter |
| Di | m | tube inside diameter |
| Do | m | tube outside diameter |
| Dij | m2 s−1 | binary diffusion coefficient of component i in j |
| Dim | m2 s−1 | diffusion coefficient of component i in the mixture |
| Do | m | tube outside diameter |
| fi | bar | partial fugacity of component i |
| Ft | mol s−1 | total molar flow rate |
| hf | W m−2 K−1 | Gas-solid heat transfer coefficient |
| hi | W m−2 K−1 | heat transfer coefficient between fluid phase and reactor wall in exothermic side |
| ho | W m−2 K−1 | heat transfer coefficient between fluid phase and reactor wall in endothermic side |
| ΔHf,i | J mol−1 | enthalpy of formation of component i |
| k | mol m−3 Pa−1 s−1 | rate constant of dehydrogenation reaction |
| ki | mol kg−1s−1bar−1/2 | rate constant of reaction i |
| kg,i | m s−1 | mass transfer coefficient for component i |
| K | Wm−1K−1 | conductivity of fluid phase |
| Ki | bar−1 | adsorption equilibrium constant for component i |
| Kp | Pa3 | equilibrium constant for dehydrogenation reaction |
| Kpi | – | equilibrium constant based on partial pressure for component i in methanol synthesis reaction |
| Kw | Wm−1K−1 | thermal conductivity of reactor wall |
| L | m | reactor length |
| Mi | gmol−1 | molecular weight of component i |
| N | – | number of components |
| P | bar | total pressure |
| Pi | Pa | partial pressure of component i |
| r1 | mol kg−1s−1 | rate of reaction for hydrogenation of CO in methanol synthesis |
| r2 | mol kg−1s−1 | rate of reaction for hydrogenation of CO2 in methanol synthesis |
| r3 | mol kg−1s−1 | rate of reversed water-gas shift reaction in methanol synthesis |
| rCO | mol kg−1s−1 | rate of reaction for hydrogenation of CO |
| rCO2 | mol kg−1s−1 | rate of reaction for hydrogenation of CO2 |
| rDME | mol kg−1s−1 | rate of reaction for dehydration of methanol |
| rC | mol m−3s−1 | rate of reaction for dehydrogenation of cyclohexane |
| R | J mol−1 K−1 | universal gas constant |
| Rp | m | particle radius |
| Re | – | Reynolds number |
| Sci | – | Schmidt number of component |
| T | K | temperature |
| u | ms−1 | superficial velocity of fluid phase |
| ug | ms−1 | linear velocity of fluid phase |
| U | Wm−2K−1 | overall heat transfer coefficient between exothermic and endothermic sides |
| vci | cm3 mol−1 | critical volume of component i |
| yi | mol mol−1 | mole fraction of component i |
| z | m | axial reactor coordinate |
| Greek letters | ||
| µ | kg m−1 s−1 | viscosity of fluid phase |
| ρ | kg m−3 | density of fluid phase |
| ρb | kg m−3 | density of catalytic bed |
| τ | – | tortuosity of catalyst |
| Superscripts | ||
| g | in bulk gas phase | |
| s | at surface catalyst | |
| Subscripts | ||
| 0 | inlet conditions | |
| i | chemical species | |
| j | reactor side | |
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©2016 by De Gruyter
Articles in the same Issue
- Frontmatter
- Review
- Novel Membrane Reactor Concepts for Hydrogen Production from Hydrocarbons: A Review
- Research Articles
- Modeling and Simulation Study of an Industrial Radial Moving Bed Reactor for Propane Dehydrogenation Process
- Oxidative Degradation of Methylene Blue in Aqueous Medium Catalyzed by Lab Prepared Nickel Hydroxide
- CFD Modelling of a Hollow Fibre Membrane for CO2 Removal by Aqueous Amine Solutions of MEA, DEA and MDEA
- Performance Study of a Thermally Double Coupled Multi-Tubular Reactor by Considering the Effect of Flow Type Patterns
- Radiative Three-Dimensional Flow with Chemical Reaction
- Three-Phase Model of a Fluidized-Bed Catalytic Reactor for Polyethylene Synthesis
- Study on the Effect of Nickel Doping on Mo-Bi Based Catalyst for Selective Oxidation of Isobutene to Methacrolein
- DM Water Plant Sedimentation as a Cheap and Waste Source of Catalyst for Biodiesel Production
- Recovery of Biogas from Meat Industry Wastewater Using Continuously Stirred Tank Reactor (CSTR): Modeling and Optimization
- Comparison of CFD Simulation and Simplified Modeling of a Fluidized Bed CO2 Capture Reactor
- Kinetic Study for Platinum Extraction from Spent Catalyst in Cyanide Solution at High Temperatures
- Hydroisomerization of Biomass Derived n-Hexadecane Towards Diesel Pool: Effect of Selective Removal External Surface Sites from Pt/ZSM-22
- 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
- Optimization of Nickel Chemical Extraction from Hazardous Residue
- Green Approach for Biodiesel Production from Jojoba Oil Supported by Process Modeling and Simulation
- Differentiating Process Performance of Various Coagulants in Removal of Congo red and Orange G Dyes
- CFD Simulation of Hydrodynamic of a Bubble Column Reactor Operating in Churn-Turbulent Regime and Effect of Gas Inlet Distribution on System Characteristics
- Transformation of Phenolic Compounds by Fe(III) in the Aqueous Solution in Dark and Under Irradiation
- Transient Predictive Model for Dynamic Analysis, Kinetic Study, and Reactor Design of Triglycerides Transesterification to Biodiesel
- Screening of Alternative Carbon Sources for Recombinant Protein Production in Pichia pastoris
- Optimization of a Large Scale Industrial Reactor Towards Tailor Made Polymers Using Genetic Algorithm
- Model of Reactive Transport within a Light Photocatalytic Textile
- Preparation of Chitosan based Nanofibers: Optimization and Modeling
- Adsorption of As (III) on Iron Coated Quartz Sand: Influence of Temperature on the Equilibrium Isotherm, Thermodynamics and Isosteric Heat of Adsorption Analysis
- Resistance Characteristics of Coal Slime in Pipe Flow at High Pressure
- Activity Comparison of Acidic Resins in the Production of Valuable Glycerol Acetates
- Bulk Polymerization of Styrene using Multifunctional Initiators in a Batch Reactor: A Comprehensive Mathematical Model
- An Effective Reaction Rate Model for Gas-Solid Reactions with High Intra-Particle Diffusion Resistance
- Heart-Like Micro-Flow Mixer
- Hydrogen Production by Hydrolysis of NaBH4 with Cr-Ni-W-B Catalyst: Effects of Cold Plasma and Chromium Content
- Prediction of Reactivity Ratios in Free Radical Copolymerization from Monomer Resonance–Polarity (Q–e) Parameters: Genetic Programming-Based Models
- Steady-State Modeling of Pt-Catalyzed H2 Combustion in a Monolithic Reactor: From Micro- to Macro-kinetics
- Premixed Methanol–Air Combustion Characteristics in a Mini-scale Catalytic Combustor
- Kinetic Modeling of VOC Photocatalytic Degradation Using a Process at Different Reactor Configurations and Scales
- Improvement of Activated Sludge Process Using a Nonlinear PI Controller Design via Adaptive Gain
- Modeling and Simulation of a Pilot-Scale Bubbling Fluidized Bed Gasifier for the Gasification of High Ash Indian Coal Using Eulerian Granular Approach
- Performance of a Catalytic Gas–Solid Fluidized Bed Reactor in the Presence of Interparticle Forces
- Mathematical Modeling of Biodiesel Production under Intense Agitation
- Extended Aeration Activated Sludge Reactor (EAASR) for Removal of Nitrobenzene: Air Stripped or Biologically Removed?
- CFD Modeling of Algae Flash Pyrolysis in the Batch Fluidized Bed Reactor Including Heat Carrier Particles
- A Robust Extended State Observer for the Estimation of Concentration and Kinetics in a CSTR
- Dynamic Modeling of CATOFIN® Fixed-Bed Iso-Butane Dehydrogenation Reactor for Operational Optimization
- Effect of Biomass Compositions on Combustion Kinetic Parameters using Response Surface Methodology
- Short Communications
- Discussions on Particle Flux Measurement in Gas-Solids Risers
- Use of New Regeneration Processes for Thermolabile Amines
- Oxidative-Extractive Desulfurization of Liquid Fuel by Dimethyl Sulfoxide and ZnCl2 Based Ionic Liquid
- Corrigendum
- Corrigendum to: Performance Analysis of Immobilized Enzyme Semifluidised Bed Bioreactors
Articles in the same Issue
- Frontmatter
- Review
- Novel Membrane Reactor Concepts for Hydrogen Production from Hydrocarbons: A Review
- Research Articles
- Modeling and Simulation Study of an Industrial Radial Moving Bed Reactor for Propane Dehydrogenation Process
- Oxidative Degradation of Methylene Blue in Aqueous Medium Catalyzed by Lab Prepared Nickel Hydroxide
- CFD Modelling of a Hollow Fibre Membrane for CO2 Removal by Aqueous Amine Solutions of MEA, DEA and MDEA
- Performance Study of a Thermally Double Coupled Multi-Tubular Reactor by Considering the Effect of Flow Type Patterns
- Radiative Three-Dimensional Flow with Chemical Reaction
- Three-Phase Model of a Fluidized-Bed Catalytic Reactor for Polyethylene Synthesis
- Study on the Effect of Nickel Doping on Mo-Bi Based Catalyst for Selective Oxidation of Isobutene to Methacrolein
- DM Water Plant Sedimentation as a Cheap and Waste Source of Catalyst for Biodiesel Production
- Recovery of Biogas from Meat Industry Wastewater Using Continuously Stirred Tank Reactor (CSTR): Modeling and Optimization
- Comparison of CFD Simulation and Simplified Modeling of a Fluidized Bed CO2 Capture Reactor
- Kinetic Study for Platinum Extraction from Spent Catalyst in Cyanide Solution at High Temperatures
- Hydroisomerization of Biomass Derived n-Hexadecane Towards Diesel Pool: Effect of Selective Removal External Surface Sites from Pt/ZSM-22
- 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
- Optimization of Nickel Chemical Extraction from Hazardous Residue
- Green Approach for Biodiesel Production from Jojoba Oil Supported by Process Modeling and Simulation
- Differentiating Process Performance of Various Coagulants in Removal of Congo red and Orange G Dyes
- CFD Simulation of Hydrodynamic of a Bubble Column Reactor Operating in Churn-Turbulent Regime and Effect of Gas Inlet Distribution on System Characteristics
- Transformation of Phenolic Compounds by Fe(III) in the Aqueous Solution in Dark and Under Irradiation
- Transient Predictive Model for Dynamic Analysis, Kinetic Study, and Reactor Design of Triglycerides Transesterification to Biodiesel
- Screening of Alternative Carbon Sources for Recombinant Protein Production in Pichia pastoris
- Optimization of a Large Scale Industrial Reactor Towards Tailor Made Polymers Using Genetic Algorithm
- Model of Reactive Transport within a Light Photocatalytic Textile
- Preparation of Chitosan based Nanofibers: Optimization and Modeling
- Adsorption of As (III) on Iron Coated Quartz Sand: Influence of Temperature on the Equilibrium Isotherm, Thermodynamics and Isosteric Heat of Adsorption Analysis
- Resistance Characteristics of Coal Slime in Pipe Flow at High Pressure
- Activity Comparison of Acidic Resins in the Production of Valuable Glycerol Acetates
- Bulk Polymerization of Styrene using Multifunctional Initiators in a Batch Reactor: A Comprehensive Mathematical Model
- An Effective Reaction Rate Model for Gas-Solid Reactions with High Intra-Particle Diffusion Resistance
- Heart-Like Micro-Flow Mixer
- Hydrogen Production by Hydrolysis of NaBH4 with Cr-Ni-W-B Catalyst: Effects of Cold Plasma and Chromium Content
- Prediction of Reactivity Ratios in Free Radical Copolymerization from Monomer Resonance–Polarity (Q–e) Parameters: Genetic Programming-Based Models
- Steady-State Modeling of Pt-Catalyzed H2 Combustion in a Monolithic Reactor: From Micro- to Macro-kinetics
- Premixed Methanol–Air Combustion Characteristics in a Mini-scale Catalytic Combustor
- Kinetic Modeling of VOC Photocatalytic Degradation Using a Process at Different Reactor Configurations and Scales
- Improvement of Activated Sludge Process Using a Nonlinear PI Controller Design via Adaptive Gain
- Modeling and Simulation of a Pilot-Scale Bubbling Fluidized Bed Gasifier for the Gasification of High Ash Indian Coal Using Eulerian Granular Approach
- Performance of a Catalytic Gas–Solid Fluidized Bed Reactor in the Presence of Interparticle Forces
- Mathematical Modeling of Biodiesel Production under Intense Agitation
- Extended Aeration Activated Sludge Reactor (EAASR) for Removal of Nitrobenzene: Air Stripped or Biologically Removed?
- CFD Modeling of Algae Flash Pyrolysis in the Batch Fluidized Bed Reactor Including Heat Carrier Particles
- A Robust Extended State Observer for the Estimation of Concentration and Kinetics in a CSTR
- Dynamic Modeling of CATOFIN® Fixed-Bed Iso-Butane Dehydrogenation Reactor for Operational Optimization
- Effect of Biomass Compositions on Combustion Kinetic Parameters using Response Surface Methodology
- Short Communications
- Discussions on Particle Flux Measurement in Gas-Solids Risers
- Use of New Regeneration Processes for Thermolabile Amines
- Oxidative-Extractive Desulfurization of Liquid Fuel by Dimethyl Sulfoxide and ZnCl2 Based Ionic Liquid
- Corrigendum
- Corrigendum to: Performance Analysis of Immobilized Enzyme Semifluidised Bed Bioreactors