Fundamental Kinetics and Mechanisms of Hydrogen Oxidation in Supercritical Water

References

• Antal , M.J. Jr. , Brittain , A. , DeAlmeida , C. , Ramayya , S. , and Roy. J.C. ( 1987 ). Heterolysis and homolysis in supercritical water . In Squires , T.G. , and Paulaitis , M.E. ( Eds .), ACS Symp. Ser. 329: Supercritical Fluids: Chemical and Engineering Principles and Applications , American Chemical Society , Washington, DC , pp. 77 – 86 .
   Google Scholar
• Baulch , D.L. , Drysdale , D.D. , Home , D.G. , and Lloyd , A.C. ( 1973 ). Evaluated Chemical Kinetic Data for High Temperature Reactions. Volume I: Homogeneous Gas Phase Reactions of the H₂-O₂ System , Bunerworths , London .
   Google Scholar
• Benson , B.B. , Krause , D. Jr. , and Peterson , M.A. ( 1979 ). The solubility and isotopic fractionation of gases in dilute aqueous solution. I. Oxygen . J. Solution Chem. 8 ( 9 ), 655 .
   Web of Science ®Google Scholar
• Braun , w. , Herron , J.T. , and Kahaner , D.K. ( 1988 ). Acuchem: a computer program for modeling complex chemical reaction systems . Int. J. Chem. Kinet. 20 . 51 .
   Web of Science ®Google Scholar
• Brelvi , S.W. , and O'Connell , J.P. ( 1972 ). Corresponding slates correlations for liquid compressibility and partial molal volumes of gases at infinite dilution in liquids . AIChE J. 18 ( 6 ), 1239 .
   Web of Science ®Google Scholar
• Brouwer , L. , Cobos , CJ. , Troe , J. , Dübal , H.-R , and Crim , F.F. ( 1987 ). Specific rate constants k(E,J) and product state distributions in simple bond fission reactions. II. Application to HOOH→OH + OH . J. Chem. Phys . 86 ( 11 ), 6171 .
   Web of Science ®Google Scholar
• Chase , M.W. Jr. , Davies , C.A. , Downey , J.R. Jr. , Frurip , D.J. , McDonald , R.A. , and Syverud , A.N. ( 1985 ). JANAF Thermochemical Tables , Third Edition . J. Phys. Chem. Ref Data 14 , Supplement No. 1 .
   Google Scholar
• Christoforakos , M. , and Franck , E.U. ( 1986 ). An equation of state for binary fluid mixtures to high temperatures and pressures . Ber. Bunsenges. Phys. Chem. 90 , 780 .
   Web of Science ®Google Scholar
• Connolly , J.E ( 1966 ). Solubility of hydrocarbons in water near the critical solution temperatures . J. Chem. Eng. Data 11 ( 1 ), 13 .
   Web of Science ®Google Scholar
• Cutler , A.H. , Antal , M.J. Jr. , and Jones , M. Jr. ( 1988 ). A critical evaluation of the plug-flow idealization of tubular-flow reactor data . Ind. Eng. Chem. Res. 27 ( 4 ), 691 .
   Web of Science ®Google Scholar
• Franck , E.U. ( 1970 ). Water and aqueous solutions at high pressures and temperatures . Pure Appl. Chem. 24 , 13 .
   Google Scholar
• Franck , E.U. , Rosenzweig , S. , and Christoforakos , M. ( 1990 ). Calculation of the dielectric constant of water to 1000°C and very high pressures . Ber. Bunsenges. Phys. Chem. 94 , 199 .
   Web of Science ®Google Scholar
• Haar , L. , Gallagher , J.S. , and Kell , G.S. ( 1984 ). NBS/NRC Steam Tables , Hemisphere Publishing Corp. , New York .
   Google Scholar
• Hart , A.B. , McFadyen , J. , and Ross , R.A. ( 1963 ). Solid-oxide-catalyzed decomposition of hydrogen peroxide vapour . Trans. Faraday Soc. 59 , 1458 .
   Google Scholar
• Helling , R.K. ( 1986 ). Oxidation kinetics of simple compounds in supercritical water: carbon monoxide, ammonia, and ethanol . Doctoral thesis . Massachusetts Institute of Technology , Cambridge, MA .
   Google Scholar
• Helling , R.K. , and Tester , J.W. ( 1987 ). Oxidation kinetics of carbon monoxide in supercritical water . Energy & Fuels 1 , 417 .
   Web of Science ®Google Scholar
• Helling , R.K. , and Tester , J.W. ( 1988 ). Oxidation of simple compounds and mixtures in supercritical water: carbon monoxide, ammonia and ethanol . Environ. Sci. Technol. 22 ( 11 ), 1319 .
   Web of Science ®Google Scholar
• Hills , A.J. , and Howard , C.J. ( 1984 ). Rate coefficient temperature dependence and branching ratio for the OH + CIO reaction . J. Chem. Phys. 81 ( 10 ), 4458 .
   Web of Science ®Google Scholar
• Hippler , H. , True , J. , and Willner , J. ( 1990 ). Shock wave study of the reaction HO2 + HO2 → H2O2 + O2: Confirmation of a rate constant minimum near 700 K . J. Chem. Phys. 93 ( 3 ), 1755 .
   Web of Science ®Google Scholar
• Hoare , D.E. , Peacock , G.B. , and Ruxton , G.R.D. ( 1967 ). Efficiency of surfaces in destroying hydrogen peroxide and hydroperoxy radicals . Trans. Faraday Soc. 63 , 2498 .
   Google Scholar
• Holgate , H.R. , Webley , P.A. , Helling , R.K. , and Tester , J.W. ( 1991 ). Carbon monoxide oxidation in supercritical water: Effects of heal transfer and the water-gas shift reaction on observed kinetics . Presented at the AIChE National Meeting , Los Angeles, CA , November 17 – 22 . To appear in Energy & Fuels .
   Google Scholar
• Hong , G.T. , Fowler , P.K. , Killilea , W.R. , and Swallow , K.C. ( 1987 ). Supercritical water oxidation: Treatment of human waste and system configuration tradeoff study . SAE Technical Paper Series #871444 , 17th Intersociety Conference on Environmental Systems , Seattle, WA , July 13 – 15 .
   Google Scholar
• Josephson , J. ( 1982 ). Supercritical fluids . Environ. Sci. Technol. 16 ( 10 ), 548A .
   PubMed Web of Science ®Google Scholar
• Kassel , L.S. ( 1937 ). The mechanism of the combustion of hydrogen . Second Symposium (Int'l) on Combustion , The Combustion Institute , Pittsburgh , pp. 175 – 182 .
   Google Scholar
• Lamb , W.J. , Hoffman , G.A. , and Jonas , J. ( 1981 ). Self-diffusion in compressed supercritical water . J. Chem. Phys. 74 ( 12 ), 6875 .
   Web of Science ®Google Scholar
• Maas , U. , and Warnatz , J. ( 1988 ). Ignition processes in hydrogen-oxygen mixtures . Combust. Flame 74 , 53 .
   Web of Science ®Google Scholar
• Marshall , W.I. , and Franck , E.U. ( 1981 ). Ion product of water substance, 0–1000°C, 1–10,000 bars: New international formulation and its background . J. Phys. Chem. Ref. Data 12 ( 2 ), 295 .
   Web of Science ®Google Scholar
• Martynova , O.I. ( 1976 ). Solubility of inorganic compounds in subcriticaJ and supercritical water . In Jones , D. de G. , and Staehle , R.W. ( Eds. ), High Temperature, High Pressure Electrochemistry in Aqueous Solutions , National Association of Corrosion Engineers , Houston, TX , pp. 131 – 138 .
   Google Scholar
• Michael , J.Y. , and Sutherland , J.W. ( 1988 ). Rate constant for the reaction of H with H2O and OH with H2 by the flash photolysis-shock tube technique over the temperature range 1246–2297 K . J. Phys. Chem. 92 , 3853 .
   Web of Science ®Google Scholar
• Modell , M. ( 1989 ). Supercritical-water oxidation . In Freeman , H.M. ( Ed. ), Standard Handbook of Hazardous Waste Treatment and Disposal , McGraw-Hill , New York , pp. 8.153 – 8.168 .
   Google Scholar
• Moore , J.C. Battino , R. , Rettich , T.R. , Handa , Y.P. , and Wilhelm , E. ( 1982 ). Partial molar volumes of ‘gases’ at infinite dilution in water at 298.15 K . J. Chem. Eng. Data 27 , 22 .
   Web of Science ®Google Scholar
• Perry , R.H. , Green , D. , and Maloney , J.O. ( Eds. ). ( 1984 ). Perry's Chemical Engineers' Handbook , Sixth Edition , McGraw-Hill , New York .
   Google Scholar
• Pirraglia , A.N. , Michael , J.Y. , Sutherland , J.W , and Klemm , R.B. ( 1989 ). A flash photolysis-shock tube kinetic study of the H atom reaction with O2: H + O2 ← OH + O(962 K ≤ T ≤ 1705 K) and H + O2+ Ar → HO2 + Ar (746 K ≤ T ≤ 987 K) . J. Phys.Chem. 93 ( 1 ), 282 .
   Web of Science ®Google Scholar
• Pitz . W.J. , and Westbrook , C.K. ( 1986 ). Chemical kinetics of the high pressure oxidation of n-butane and its relation to engine knock . Combust. Flame 63 , 113 .
   Web of Science ®Google Scholar
• Press , W.H. , Flannery , B.P , Teukolsky , S.A. , and Vetterling , W.T. ( 1986 ). Numerical Recipes: The An of Scientific Computing , Cambridge University Press , New York .
   Google Scholar
• Rumayya S.V. , and Antal , M.J. Jr. ( 1989 ). Evaluation of systematic error incurred in the plug flow idealization of tubular flow reactor data . Energy & Fuels 3 , 105 .
   Web of Science ®Google Scholar
• Schott . G.L. , and Kinsey , J.L. ( 1958 ). Kinetic studies of hydroxyl radicals in shock waves. II. Induction times in the hydrogen-oxygen reaction . J. Chem. Phys. 29 ( 5 ), 1177 .
   Web of Science ®Google Scholar
• Sengers . J.V. , and Watson , J.T.R. ( 1986 ). Improved international formulation for the viscosity and thermal conductivity of water substance . J. Phys. Chem. Ref Data 15 ( 4 ), 1291 .
   Web of Science ®Google Scholar
• Skinner , G.B. , and Ringrose , G.H. ( 1965 ). Ignition delays of a hydrogen-oxygen-argon mixture at relatively low temperatures . J. Chem. Phys. 42 ( 6 ), 2190 .
   Web of Science ®Google Scholar
• Sutherland , J.W , Michael , J.Y. , Pirraglia , A.N. , Nesbitt , F.L. , and Klemm , R.B. ( 1986 ). Rate constant for the reaction of O(3P) with H2 by the flash photolysis-shock tube and flash photolysis-resonance fluorescence techniques; 504K ≤ T ≤ 2495K . Twenty-FirstSymposium (Int'l) on Combustion , The Combustion Institute , Pittsburgh . pp. 929 – 941 .
   Google Scholar
• Swallow , K.C. , Killilea , W.R. , Malinowski , K.C. , and Staszak , C. ( 1989 ). The MODAR process for the destruction of hazardous organic wastes—field test of a pilot-scale unit . Waste Management 9 , 19 .
   Google Scholar
• Tester , J.W. , Holgate , H.R. , Armellini , F.J. , Webley , P.A. , Killilea , W.R. , Hong , G.T. , and Barner , H.E. ( 1991 ). Oxidation of hazardous organic wastes in supercritical water: A review of process development and fundamental research . Presented at the Third Annual Symposium on Emerging Technologies for Hazardous Waste Management, Atlanta, GA, October 1–3, Paper 113.2. To appear in an ACS Symposium Series volume , Emerging Technologies for Hazardous Waste Management III .
   Google Scholar
• Thomason , T.B. , and Modell , M. ( 1984 ). Supercritical water destruction of aqueous waste . Haz. Waste 1 ( 4 ), 453 .
   Web of Science ®Google Scholar
• Thomason , T.B. , Hong , G.T. , Swallow , K.C. , and Killilea , W.R. ( 1990 ). The MaDAR supercritical water oxidation process . In Freeman , H.M. ( Ed. ), Innovative Hazardous Waste Treatment Technology Series, Volume I: Thermal Processes , Technomic Publishing , Lancaster, PA , pp. 31 – 42 .
   Google Scholar
• Timberlake , S.H. , Hong , G.T. , Simson , M. , and Modell , M. ( 1982 ) Supercritieal water oxidation for wastewater treatment: preliminary study of urea destruction . SAE Technical Paper Series #820872 , 12th Intersociety Conference on Environmental Systems , San Diego, CA . July 19 – 21 .
   Google Scholar
• Troe . J. ( 1977 ). Theory of thermal unimolecular reactions at low pressures. II. Strong collision rate constants, Applications . J. Chem. Phys. 66 ( 11 ), 4758 .
   Web of Science ®Google Scholar
• Tsang , W. , and Hampson , R.F. ( 1986 ). Chemical kinetic data base for combustion chemistry . Part I. Methane and related compounds . J. Plys. Chem. Ref Data 15 ( 3 ), 1087 .
   Web of Science ®Google Scholar
• Vermeerseh , M.L. ( 1991 ). A variable pressure flow reactor for chemical kinetic studies: Hydrogen, methane and butane oxidation at 1 to 10 atmospheres and 880 to 1.040 K . Doctoral thesis , Department of Mechanical and Aerospace Engineering . Princeton University , Princeton, NJ .
   Google Scholar
• von Elbe , G. , and Lewis , B. ( 1937 ). The reaction between hydrogen and oxygen above the upper explosion limit . J. Am. Chem. Soc. 59 , 656 .
   Google Scholar
• von Elhe . G. , and Lewis , B. ( 1942 ). Mechanism of the thermal reaction between hydrogen and oxygen . J. Chem. Phys. 10 , 366 .
   Google Scholar
• Warnatz , J. ( 1984 ). Rate coefficients in the C/H/O system . In Gardiner , W.C. Jr. ( Ed. ), Combustion Chemistry , Springer-Verlag , New York , Chap. 5 , pp. 197 – 360 .
   Google Scholar
• Webley , P.A. ( 1989 ). Fundamental oxidation kinetics of simple compounds in supercritical water . Doctoral thesis, Department of Chemical Engineering , Massachusetts Institute of Technology , Cambridge, MA .
   Google Scholar
• Webley , P.A. , and Tester , J.W , ( 1988 ). Fundamental kinetics and mechanistic pathways for oxidation reactions in supercritical water . SAE Technical Paper Series #881039 , 18th Intersociety Conference on Environmental Systems , San Francisco, CA , July 11 – 13 .
   Google Scholar
• Webley , P.A. , and Tester , J.W. ( 1989 ). Fundamental kinetics of methanol oxidation in supercritical water . In Johnston , K.P. , and Penninger , J.M.L. ( Eds. ), ACS Symp. Ser. 406: Supercritical Fluid Science and Technology , American Chemical Society , Washington, D.C. , pp. 259 – 275 .
   Google Scholar
• Webley , P.A. , and Tester , J.W. ( 1991 ). Fundamental kinetics of methane oxidation in supercrincal water . Energy & Fuels 5 , 511 .
   Web of Science ®Google Scholar
• Webley , P.A. , Tester , J.W. , and Holgate , H.R. ( 1991 ). Oxidation kinetics of ammonia and ammonia-methanol mixtures in supercritical water in the temperature range 530–700 °C at 246 bar . Ind. Eng. Chem. Res. 30 ( 8 ), 1745 .
   Web of Science ®Google Scholar
• Westbrook , C.K. , and Dryer , F.L. , ( 1984 ). Chemical kinetic modeling of hydrocarbon combustion . Prog. Energy Combust. Sci. 10 , 1 .
   Web of Science ®Google Scholar
• Westbrook , C.K. , Dryer , F.L. , and Schug , K.P. ( 1982 ). A comprehensive mechanism for the pyrolysis and oxidation of ethylene . Nineteenth Symposium (Int'l) on Combustion , The Combustion Institute , Pittsburgh , pp. 153 – 166 .
   Google Scholar
• Wilhelm , E. , Battino , R. , and Wilcock , R.J. ( 1977 ). Low-pressure solubility of gases in liquid water . Chem. Rev. 77 ( 2 ), 219 .
   Web of Science ®Google Scholar
• Yetter , R.A. , Dryer , F.L. , and Rabitz , H. ( 1991 ). A comprehensive reaction mechanism for carbon monoxide/hydrogen/oxygen kinetics . Combust. Sci. Technol. 79 , 97 .
   Web of Science ®Google Scholar