Oxidation of hazardous waste in supercritical water: A comparison of modeling and experimental results for methanol destruction Metadata

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  • Main Title Oxidation of hazardous waste in supercritical water: A comparison of modeling and experimental results for methanol destruction


  • Author: Butler, P.B. (Iowa Univ., Iowa City, IA (United States))
    Creator Type: Personal
  • Author: Bergan, N.E.
    Creator Type: Personal
  • Author: Bramlette, T.T. (Sandia National Labs., Albuquerque, NM (United States))
    Creator Type: Personal
  • Author: Pitz, W.J.
    Creator Type: Personal
  • Author: Westbrook, C.K. (Lawrence Livermore National Lab., CA (United States))
    Creator Type: Personal


  • Sponsor: United States. Department of Energy.
    Contributor Type: Organization
    Contributor Info: DOE; USDOE, Washington, DC (United States)


  • Name: Lawrence Livermore National Laboratory
    Place of Publication: [Livermore,] California


  • Creation: 1991-03-17


  • English


  • Content Description: Recent experiments at Sandia National Laboratories conducted in conjunction with MODEC Corporation have demonstrated successful clean- up of contaminated water in a supercritical water reactor. These experiments targeted wastes of interest to Department of Energy production facilities. In this paper we present modeling and experimental results for a surrogate waste containing 98% water, 2% methanol, and parts per million of chlorinated hydrocarbons and laser dyes. Our initial modeling results consider only methanol and water. Experimental data are available for inlet and outlet conditions and axial temperature profiles along the outside reactor wall. The purpose of our model is to study the chemical and physical processes inside the reactor. We are particularly interested in the parameters that control the location of the reaction zone. The laboratory-scale reactor operates at 25 MPa., between 300 K and 900 K; it is modeled as a plug-flow reactor with a specified temperature profile. We use Chemkin Real-Gas to calculate mixture density, with the Peng-Robinson equation of state. The elementary reaction set for methanol oxidation and reactions of other C{sub 1} and C{sub 2} hydrocarbons is based on previous models for gas-phase kinetics. Results from our calculations show that the methanol is 99.9% destroyed at 1/3 the total reactor length. Although we were not able to measure composition of the fluid inside the experimental reactor, this prediction occurs near the location of the highest reactor temperature. This indicates that the chemical reaction is triggered by thermal effects, not kinetic rates. Results from ideal-gas calculations show nearly identical chemical profiles inside the reactor in dimensionless distance. However, reactor residence times are overpredicted by nearly 150% using an ideal-gas assumption. Our results indicate that this oxidation process can be successfully modeled using gas-phase chemical mechanisms. 23 refs., 8 figs.
  • Physical Description: Pages: (15 p)


  • Keyword: Chemical Reactions
  • Keyword: Processing
  • Keyword: Organic Compounds
  • Keyword: Nonradioactive Wastes
  • Keyword: Chemical Reaction Kinetics
  • Keyword: Water
  • Keyword: Waste Processing
  • Keyword: Mixing
  • Keyword: Equations
  • Keyword: Materials
  • Keyword: Kinetics
  • Keyword: Oxidation
  • Keyword: Hazardous Materials
  • Keyword: Oxygen Compounds
  • STI Subject Categories: 052001 -- Nuclear Fuels-- Waste Processing
  • Keyword: Hydroxy Compounds
  • STI Subject Categories: 12 Management Of Radioactive And Non-Radioactive Wastes From Nuclear Facilities
  • Keyword: Reaction Kinetics
  • Keyword: Alcohols
  • Keyword: Chemical Reactors
  • Keyword: Radicals
  • Keyword: Management
  • Keyword: Waste Management 320305* -- Energy Conservation, Consumption, & Utilization-- Industrial & Agricultural Processes-- Industrial Waste Management
  • STI Subject Categories: 32 Energy Conservation, Consumption, And Utilization
  • Keyword: Hydrogen Compounds
  • Keyword: Methanol
  • Keyword: Equations Of State


  • Conference: Spring meeting of the western states section of the Combustion Institute, Boulder, CO (United States), 17-19 Mar 1991


  • Name: Office of Scientific & Technical Information Technical Reports
    Code: OSTI


  • Name: UNT Libraries Government Documents Department
    Code: UNTGD

Resource Type

  • Article


  • Text


  • Other: DE91017097
  • Report No.: UCRL-JC-106183
  • Report No.: CONF-9103145--2
  • Grant Number: W-7405-ENG-48
  • Office of Scientific & Technical Information Report Number: 5483419
  • Archival Resource Key: ark:/67531/metadc1093067


  • Display Note: OSTI; NTIS; INIS; GPO Dep.