Steady-State Modeling of Pt-Catalyzed H2 Combustion in a Monolithic Reactor: From Micro- to Macro-kinetics
-
Qi Su
und
Wei-Fang Yu
Abstract
Micro-kinetic modeling of Pt-catalyzed hydrogen oxidation in a monolithic reactor was carried out for various feed temperatures. The monolith behavior was described by a simplified steady-state model that avoids surface species enthalpy evaluation and does not have temperatures as unknowns. A simplified pseudoarch length method was used to obtain the multiple solution branches for this typical exothermic reaction system. Based on parametric sensitivity and surface species distribution analyses of the micro-kinetic modeling results, macro-kinetic models that involve only gas concentrations were derived and were used to explain the composition effects on ignition temperature.
Funding statement: Funding: This work was supported by Zhejiang Provincial Natural Science Foundation (Y5100296) and Qianjiang Program of Zhejiang Science and Technology Department (2012R10070). The graduate courses of Qi Su and Xiaoling Zha are financially supported by China Natural Science Foundation (21376181) and Zhejiang Provincial Natural Science Foundation (Y5110174), respectively.
References
1. JatkarAD. A new catalyst support structure for automotive catalytic converters. SAE Technical Paper 971032, 1997.10.4271/971032Suche in Google Scholar
2. KikuchiS, HatchoS, OkayamaT, InoseS, IkeshimaK. High cell density and thin wall substrate for higher conversion ratio catalyst. SAE, Technical Paper 1999-01-0268, 1999.10.4271/1999-01-0268Suche in Google Scholar
3. MarshP, AckeF, KoniecznyR, BrückR, HirthP. Application guideline to define a catalyst layout for maximum catalytic efficiency. SAE, Technical Paper 2001-01-0929, 2001.10.4271/2001-01-0929Suche in Google Scholar
4. StankiewiczE, ShermanA, ZinnA, ScottD. Properties and performance of UltraCat open-cell Silicon carbide foam catalyst substrate. SAE, Technical Paper 980669, 1998.10.4271/980669Suche in Google Scholar
5. HaroldMP. NOx storage and reduction in lean burn vehicle emission control: a catalytic engineer’s playground. Curr Opin Chem Eng2012;1:303–11.10.1016/j.coche.2012.02.002Suche in Google Scholar
6. GuptaN, BalakotaiahV. Heat and mass transfer coefficients in catalytic monoliths. Chem Eng Sci2001;56:4771–86.10.1016/S0009-2509(01)00134-8Suche in Google Scholar
7. BalakotaiahV, WestDH. Shape normalization and analysis of the mass transfer controlled regime in catalytic monoliths. Chem Eng Sci2002;57:1269–86.10.1016/S0009-2509(02)00059-3Suche in Google Scholar
8. BhattacharyaM, HaroldMP, BalakotaiahV. Mass-transfer coefficients in washcoated monoliths. AIChE J2004;50:2939–55.10.1002/aic.10212Suche in Google Scholar
9. JoshiS, BalakotaiahV, HaroldMP. Low dimensional models for real time simulation of catalytic monoliths. AIChE J2009;55:1771–83.10.1002/aic.11794Suche in Google Scholar
10. ShakyaB, HaroldMP, BalakotaiahV. Modeling and analysis of dual-layer NOx storage and reduction and selective catalytic reduction monolithic catalyst. Chem Eng J2014;237:109–22.10.1016/j.cej.2013.10.008Suche in Google Scholar
11. SuQ, XieL, ShuaiS, WangJ, SongJ, LiZ. Optimization of automotive catalytic converter by numerical modeling and simulation with detailed mechanism. Catal Today2013;216:292–8.10.1016/j.cattod.2013.06.015Suche in Google Scholar
12. BhatiaD, McCabeRW, HaroldMP, BalakotaiahV. Experimental and kinetic study of NO oxidation on model Pt catalysts. J Catal2009;266:106–19.10.1016/j.jcat.2009.05.020Suche in Google Scholar
13. CumaranatungeLS, MullaS, YezeretsA, CurrierNW, DelgassWN, RibeiroFH. Ammonia is a hydrogen carrier in the regeneration of Pt/BaO/Al2O3 NOx traps with H2. J Catal2007;246:29–34.10.1016/j.jcat.2006.11.008Suche in Google Scholar
14. ClaytonR, HaroldMP, BalakotaiahV. NOx storage and reduction with H2 on Pt/BaO/Al2O3 monolith: spatio-temporal resolution of product distribution. Appl Catal B Environ2008;84:616–30.10.1016/j.apcatb.2008.05.018Suche in Google Scholar
15. JoshiSY, RenY, HaroldMP, BalakotaiahV. Determination of kinetics and controlling regimes for H2 oxidation on Pt/Al2O3 monolithic catalyst using high space velocity experiments. Appl Catal B Environ2011;102:484–95.10.1016/j.apcatb.2010.12.030Suche in Google Scholar
16. XuW, LaiM, YuW, XuJ. Revisiting the steady states of NO/O2/C3H6 on monolithic Pt/BaO/Al2O3 using bifurcation analysis. AIChE J2014;60:623–34.10.1002/aic.14263Suche in Google Scholar
17. XuJ, ClaytonR, BalakotaiahV, HaroldMP. Experimental and microkinetic modeling of steady-state NO reduction by H2 on Pt/BaO/Al2O3 monolith catalysts. Appl Catal B Environ2008;77:395–408.10.1016/j.apcatb.2007.08.008Suche in Google Scholar
18. XuJ, HaroldMP, BalakotaiahV. Microkinetic modeling of steady-state NO/H2/O2 on Pt/BaO/Al2O3 NOx storage and reduction monolith catalysts. Appl Catal B Environ2009;89:73–86.10.1016/j.apcatb.2008.11.017Suche in Google Scholar
19. SharmaM, ClaytonR, HaroldMP, BalakotaiahV. Multiplicity in lean NOx traps. Chem Eng Sci2007;62:5176–81.10.1016/j.ces.2007.01.083Suche in Google Scholar
20. SharmaM, HaroldMP, BalakotaiahV. Analysis of periodic storage and reduction of NOx in catalytic monoliths. Ind Eng Chem Res2005;44:6264–77.10.1021/ie0490785Suche in Google Scholar
21. HellsingB, KasemoB, ZhdanovVP. Kinetics of the hydrogen-oxygen reaction on platinum. J Catal1991;132:210–28.10.1016/0021-9517(91)90258-6Suche in Google Scholar
22. FassihiM, ZhdanovVP, RinnemoM, KeckKE, KasemoB. A theoretical and experimental study of catalytic ignition in hydrogen-oxygen reaction on platinum. J Catal1993;141:438–52.10.1006/jcat.1993.1153Suche in Google Scholar
23. WarnatzJ, AllendorfMD, KeeRJ. A model of elementary chemistry and fluid mechanics in the combustion of hydrogen on platinum surface. Combust Flame1994;96:393–406.10.1016/0010-2180(94)90107-4Suche in Google Scholar
24. RinnemoM, DeutschmannO, BehrendtF, KasemoB. Experimental and numerical investigation of the catalytic ignition of mixtures of hydrogen and oxygen on platinum. Combust Flame1997;111:312–26.10.1016/S0010-2180(97)00002-3Suche in Google Scholar
25. SmimovMY, GorodetskiiVV, BlockJH. Mechanism of surface intermediate formation during the reactions between adsorbed molecules and atoms: NO + H, NO + C, O2 + H, C2 + H. J Mol Catal Chem1996;107:359–66.10.1016/1381-1169(95)00175-1Suche in Google Scholar
26. BurchR, BreenJP, MeunierFC. A review of the selective reduction of NOx with hydrocarbon under lean-burn conditions with non-zeolitic oxide and platinum group metal catalysts. Appl Catal B Environ2002;39:283–303.10.1016/S0926-3373(02)00118-2Suche in Google Scholar
27. SuQ. Master Thesis at Wenzhou University, 2015.Suche in Google Scholar
28. BalakotaiahV, GuptaN, WestDH. A simplified model for analyzing catalytic reactions in short monoliths. Chem Eng Sci2000;55:5367–83.10.1016/S0009-2509(00)00164-0Suche in Google Scholar
29. XuJ, HaroldMP, BalakotaiahV. Modeling the effects of Pt loading on NOx storage on Pt/BaO/Al3O2 catalysts. Appl Catal B Environ2011;104:305–15.10.1016/j.apcatb.2011.03.014Suche in Google Scholar
©2016 by De Gruyter
Artikel in diesem Heft
- 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
Artikel in diesem Heft
- 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
