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Acceleration of Chemical Reactions Using a Supercritical Water Microreaction System

  • Masahiro Sato , Yutaka Ikushima , Kiyotaka Hatakeda and Tamio Ikeshoji
Published/Copyright: August 8, 2005
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International Journal of Chemical Reactor Engineering
From the journal International Journal of Chemical Reactor Engineering Volume 3 Issue 1

Water is an environmentally friendly chemical species that can be employed either as catalyst or as reactant. The use of water has attracted much interest for many acid-catalyzed organic syntheses. These reactions have been studied under hot water conditions with maximum formation of ions. Under these circumstances, long reaction times are required to obtain suitable yields however with poor selectivities given the influence of side reactions. The microreaction system of the present study can heat up a substrate solution very quickly from ambient conditions to the supercritical water state (scH2O) and can then quench rapidly the same solution to sufficiently low temperatures. This allows epsilon-caprolactam production with close to 100% selectivity and 80% yield in a acid free reaction system in less than 1-second reaction time. To justify these results, first principle molecular dynamics calculations and in situ IR measurements are employed as they can be applied to the structural and electronic properties of water in the near critical point region. Close to the critical point at low fluid densities, small clusters, mainly dimers and trimers, are the dominant features with no H-bonds expected. The significant reduction of H-bond strength in H2O, peculiar to near the critical point, leads to the activation of protons or H3O+. Hence, in the scH2O microreaction system, the acidic properties of H2O at the supercritical state are considered as the likely pathway promoter which prevents the hydrolysis and the pyrolysis of cyclohexanone-oxime as well as the pyrolysis of epsilon-caprolactam. It is also observed that dilute acids at supercritical conditions further enhance the epsilon-caprolactam process with close to 100% yield and 100% selectivity.

Keywords: Chemical Reactions; Supercritical Water; Microreaction System
Published Online: 2005-8-8

©2011 Walter de Gruyter GmbH & Co. KG, Berlin/Boston

Articles in the same Issue

  1. Review
  2. A Review of Short Residence Time Cracking Processes
  3. Microchannel Reactors: Applications and Use in Process Development
  4. Carbon Nanotube Synthesis: A Review
  5. Modelling the Hydrodynamics of Gas-Liquid Packed Beds via Slit Models: A Review
  6. Article
  7. Heat Transfer in a Membrane Assisted Bubbling Fluidized Bed with Immersed Horizontal Tubes
  8. Simulation of the Storage of Molten Poly(Ethylene Terephthalate)
  9. Optimal Non-isothermal Reactor Network for Van de Vusse Reaction
  10. Dodecane Decomposition in a Radio-Frequency (RF) Plasma Reactor
  11. Glucose Diffusion on Support for Solid State Fermentation and its Influence on Tannase Production Profiles
  12. A Kinetic Model for Toluene Oxidation Comprising Benzylperoxy Benzoate Ester as Reactive Intermediate in the Formation of Benzaldehyde
  13. A Computational Study of Gas-solid Flow in an Enhanced Solid Entrainment (ESE) Nozzle System
  14. A Neural Network Approach for Prediction of the CuO-ZnO-Al2O3 Catalyst Deactivation
  15. Modeling and Simulation of a Multistage Agitated Contactor for Hydrogenation of Nitrile Butadiene Rubber
  16. Experimental and Model Based Study of the Hydrogenation of Acrolein to Allyl Alcohol
  17. iso-Amyl Acetate Synthesis by Catalytic Distillation
  18. A Reverse Flow Catalytic Membrane Reactor for the Production of Syngas: An Experimental Study
  19. Comparative Study of Two-Phase Gas-Liquid Flow in the Ejector Induced Upflow and Downflow Bubble Column
  20. Hydrogenation of Acetylene: Kinetic Studies and Reactor Modeling
  21. Acceleration of Chemical Reactions Using a Supercritical Water Microreaction System
  22. Effect of Temperature on Solids Mixing in a Bubbling Fluidized Bed Reactor
  23. Optimal Operation of Semi-Batch Processes with a Single Reaction
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  25. Ultrasonic Investigation of Hydrodynamics and Mass Transfer in a Gas-Liquid(-Liquid) Stirred Vessel
  26. Hydrodynamic and Mass Transfer Parameters in Agitated Reactors Part II: Gas-Holdup, Sauter Mean Bubble Diameters, Volumetric Mass Transfer Coefficients, Gas-Liquid Interfacial Areas, and Liquid-Side Mass Transfer Coefficients
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  28. Mixing Time Studies in Bubble Column Reactor with and without Internals
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  32. First Steps in the Adsorption of C5H8 on Pt(111)
  33. The Effect of Solvent on the Kinetics and Mass Transfer Resistances for 4,6 DMDBT HDS
  34. Solvent Effects During Oxidation-Extraction Desulfurization Process of Aromatic Sulfur Compounds from Fuels
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https://doi.org/10.2202/1542-6580.1294
Keywords for this article
Chemical Reactions; Supercritical Water; Microreaction System

Articles in the same Issue

  1. Review
  2. A Review of Short Residence Time Cracking Processes
  3. Microchannel Reactors: Applications and Use in Process Development
  4. Carbon Nanotube Synthesis: A Review
  5. Modelling the Hydrodynamics of Gas-Liquid Packed Beds via Slit Models: A Review
  6. Article
  7. Heat Transfer in a Membrane Assisted Bubbling Fluidized Bed with Immersed Horizontal Tubes
  8. Simulation of the Storage of Molten Poly(Ethylene Terephthalate)
  9. Optimal Non-isothermal Reactor Network for Van de Vusse Reaction
  10. Dodecane Decomposition in a Radio-Frequency (RF) Plasma Reactor
  11. Glucose Diffusion on Support for Solid State Fermentation and its Influence on Tannase Production Profiles
  12. A Kinetic Model for Toluene Oxidation Comprising Benzylperoxy Benzoate Ester as Reactive Intermediate in the Formation of Benzaldehyde
  13. A Computational Study of Gas-solid Flow in an Enhanced Solid Entrainment (ESE) Nozzle System
  14. A Neural Network Approach for Prediction of the CuO-ZnO-Al2O3 Catalyst Deactivation
  15. Modeling and Simulation of a Multistage Agitated Contactor for Hydrogenation of Nitrile Butadiene Rubber
  16. Experimental and Model Based Study of the Hydrogenation of Acrolein to Allyl Alcohol
  17. iso-Amyl Acetate Synthesis by Catalytic Distillation
  18. A Reverse Flow Catalytic Membrane Reactor for the Production of Syngas: An Experimental Study
  19. Comparative Study of Two-Phase Gas-Liquid Flow in the Ejector Induced Upflow and Downflow Bubble Column
  20. Hydrogenation of Acetylene: Kinetic Studies and Reactor Modeling
  21. Acceleration of Chemical Reactions Using a Supercritical Water Microreaction System
  22. Effect of Temperature on Solids Mixing in a Bubbling Fluidized Bed Reactor
  23. Optimal Operation of Semi-Batch Processes with a Single Reaction
  24. Scale Effects on Fluidized Bed Hydrodynamics
  25. Ultrasonic Investigation of Hydrodynamics and Mass Transfer in a Gas-Liquid(-Liquid) Stirred Vessel
  26. Hydrodynamic and Mass Transfer Parameters in Agitated Reactors Part II: Gas-Holdup, Sauter Mean Bubble Diameters, Volumetric Mass Transfer Coefficients, Gas-Liquid Interfacial Areas, and Liquid-Side Mass Transfer Coefficients
  27. Numerical and Experimental Studies of Air Bubbles Coalescence in a Quiescent Water Column
  28. Mixing Time Studies in Bubble Column Reactor with and without Internals
  29. Alkylation of Bromobenzene with Allyl Acetate on Zeolite H-USY: Catalytic Testing and Reaction Modeling
  30. Compact Direct Methanol Fuel Cells for Portable Applications: A Modeling Study
  31. Hydrogenation of Citral Over Ni on Monolith
  32. First Steps in the Adsorption of C5H8 on Pt(111)
  33. The Effect of Solvent on the Kinetics and Mass Transfer Resistances for 4,6 DMDBT HDS
  34. Solvent Effects During Oxidation-Extraction Desulfurization Process of Aromatic Sulfur Compounds from Fuels
  35. Kinetics Study on Heterogeneous Catalytic Wet Air Oxidation of Phenol using Copper/Activated Carbon Catalyst
  36. Production of iso-Amyl Acetate: Heterogeneous Kinetics and Techno-feasibility Evaluation for Catalytic Distillation
  37. On the Performance of Metal Supported Catalysts Prepared by Microemulsion: Sol Gel and Precipitation of the Support Precursor
  38. The Influence Of The Support On The Deactivation Behaviour of Pt-Sn Reforming Catalysts
  39. Redox Stabilization Effect of TiO2 in Co3O4 as Oxygen Carrier for the Production of Hydrogen through POX and Chemical Looping Processes
  40. Kinetics of Adiponitrile Hydrogenation Over Rhodium-Alumina Catalysts
  41. Mixing Characteristics of an Axial-Flow Rotor: Experimental and Numerical Study
  42. CFD Simulation of Heat Transfer in a Circular Channel: Effect of the Pe Number
  43. An Approximate Analytical Solution for the Diffusion and Reaction Problem in a Catalyst Pellet in the Presence of Coke Formation
  44. Catalytic Gasification of Biomass in a CREC Fluidized Riser Simulator
  45. The Optimisation of Pressure Measurements for the Control of Bubbling Fluidised Beds
  46. The Applicability Of Activities In Kinetic Expressions: a More Fundamental Approach To Represent the Kinetics Of the System CO2-OH- In Terms Of Activities
  47. Hydrogen Production in Fluidized Beds with In-Situ Membranes
  48. Modeling of Solid Acid Catalyzed Alkylation Reactors
  49. Hydrolysis of Lactose in a Fluidized Bed of Zeolite Pellets Supporting Adsorbed ß - Galactosidase
  50. Direct Synthesis of Dimethyl Ether From (H2+CO) and (H2+CO2) Feeds. Effect of Feed Composition
  51. Photocatalytic Inactivation of Bioaerosols by TiO2 Coated Membrane
  52. Use of CFD for Wastewater Disinfection Process Analysis: E.coli Inactivation with Peroxyacetic Acid (PAA)
  53. Industrial Development and Operation of an Efficient Riser Separation System for FCC Units
  54. Phenomenological Kinetics of Isothermal Wet Air Oxidation: Operating Severity Factor and Recalcitrance Index
  55. A Study of Fermentation for Human Interleukin-11 with Recombinant E. Coli
  56. Modelling a Biochemical Reaction with Computational Fluid Dynamics
  57. Innovative Reactors for Determining Kinetics of Highly Exothermic Heterogeneous Catalytic Reactions
  58. Hydrodynamics of High-Density Downer Reactors Using a Novel Solids Feeder
  59. Prediction of the Gas Holdup in Industrial-Scale Bubble Columns and Slurry Bubble Column Reactors Using Back-Propagation Neural Networks
  60. Characterization of Homogeneity of Bubble Flows in Bubble Columns Using RPT and Fibre Optics
  61. Experiments and CFD Modelling of Fast Chemical Reaction in Turbulent Liquid Flows
  62. Light Intensity Distribution in a Dual-Lamp Photoreactor
  63. Modeling of Chemical Vapor Deposition in a Fluidized Bed Reactor Based on Discrete Particle Simulation
  64. Hydrogen from an Internally Circulating Fluidized Bed Membrane Reactor
  65. Activity and Selectivity of Novel Structured Pd-Catalysts: Kinetics Modeling of Vegetable Oils Hydrogenation
  66. Mathematical Modeling of the Transient Behaviour of a Chemostat Undergoing Bio-Desulfurization of Model Organosulfur Compounds and Diesel Using Pure and Isolated Bacterial Strains
  67. Modeling and Experimental Study of a Stirred Tank Reactor
  68. Stability Analysis of an Activated Sludge Bioreactor at a Petrochemical Plant at Different Temperatures
  69. Towards Bifurcation Detection in Kinetic Monte Carlo Simulations: Robust Identification with Artificial Neural Networks and Nonlinear Kalman Filters
  70. Conference Presentation
  71. Modeling Hydrocarbon Processing
  72. Short Communication or Note
  73. Alternate Co-Catalysts For Ziegler-Natta High Temperature Olefin Polymerization
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