Critical review of kinetic data for the oxidation of methanol in supercritical water

Journal of Supercritical Fluids

Volumn 34, Issue 3, 2005, Pages 249-286

  Vogel, Frédéric ^a   Blanchard, Joanna L Dinaro ^a   Marrone, Philip A ^a   Rice, Steven F ^b   Webley, Paul A ^a   Peters, William A ^a   Smith, Kenneth A ^a   Tester, Jefferson W ^a  

^a MASSACHUSETTS INSTITUTE OF TECHNOLOGY   (United States)

^b SANDIA NATIONAL LABORATORIES   (United States)

Author keywords

Hydrolysis; Induction time; Kinetics; Methanol; Oxidation; Preheating; Supercritical water; Surface catalysis

Indexed keywords

CARBON DIOXIDE; CARBON MONOXIDE; CATALYSIS; DECOMPOSITION; EFFLUENTS; HYDROLYSIS; MATHEMATICAL MODELS; METHANOL; OXYGEN; REACTION KINETICS; SUPERCRITICAL FLUIDS; WATER;

INDUCTION TIME; KINETICS; SUPERCRITICAL WATER; SURFACE CATALYSIS;

OXIDATION;

EID: 17844389574     PISSN: 08968446     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.supflu.2003.12.018     Document Type: Review

References (92)

1. R.K. Helling, and J.W. Tester Oxidation kinetics of carbon monoxide in supercritical water Energy Fuels 4 1987 417
2. R.K. Helling, and J.W. Tester Oxidation of simple compounds and mixtures in supercritical water: carbon monoxide, ammonia, and ethanol Environ. Sci. Technol. 22 11 1988 1319
3. J. Schanzenbächer, J.D. Taylor, and J.W. Tester Ethanol oxidation and hydrolysis rates in supercritical water J. Supercrit. Fluids 22 2002 139 147
4. H.H. Yang, and C.A. Eckert Homogeneous catalysis in the oxidation of p-chlorophenol in supercritical water Ind. Eng. Chem. Res. 27 1988 2009 2014
5. T.D. Thornton, and P.E. Savage Phenol oxidation in supercritical water J. Supercrit. Fluids 3 1990 240 248
6. M. Koo, W.K. Lee, and C.H. Lee New Reactor system for supercritical water oxidation and its application on phenol destruction Chem. Eng. Sci. 52 7 1997 1201 1214
7. S.F. Rice, and R.R. Steeper Oxidation rates of common organic compounds in supercritical water J. Hazard. Mater. 59 1998 261 278
8. P.A. Webley, H.R. Holgate, D.M. Stevenson, J.W. Tester, Oxidation kinetics of model compounds of metabolic waste in supercritical water, Presented at the 20th Intersociety Conference on Environmental Systems, SAE Technical Paper Series No. 901333, Williamsburg, VA, July 9-12, 1990.
9. P.A. Webley, J.W. Tester, and H.R. Holgate 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 1991 1745 1754
10. P.A. Webley, and J.W. Tester Fundamental kinetics of methane oxidation in supercritical water Energy Fuels 5 1991 411
11. P.E. Savage, J. Yu, N. Stylski, and E.E. Brock Kinetics and mechanism of methane oxidation in supercritical water J. Supercrit. Fluids 12 1998 141 153
12. H.R. Holgate, and J.W. Tester Fundamental kinetics and mechanisms of hydrogen oxidation in supercritical water Combust. Sci. Technol. 88 1993 369 397
13. R. Li, P.E. Savage, and D. Szmukler 2-Chlorophenol oxidation in supercritical water: global kinetics and reaction products AIChE J. 39 1 1993 178 187
14. N. Crain, S. Tebbal, L. Li, and E.F. Gloyna Kinetics and reaction pathways of pyridine oxidation in supercritical water Ind. Eng. Chem. Res. 32 10 1993 2259 2268
15. H.R. Holgate, J.C. Meyer, and J.W. Tester Glucose hydrolysis and oxidation in supercritical water AIChE J. 41 3 1995 637 648
16. J.C. Meyer, P.A. Marrone, and J.W. Tester Acetic acid oxidation and hydrolysis in supercritical water AIChE J. 41 9 1995 2108
17. C.J. Martino, P.E. Savage, and J. Kasiborski Kinetics and products from o-cresol oxidation in supercritical water Ind. Eng. Chem. Res. 34 6 1995 1941 1951
18. T.B. Hunter, S.F. Rice, and R.G. Hanush Raman spectroscopic measurement of oxidation in supercritical water. 2. Conversion of isopropyl alcohol to acetone Ind. Eng. Chem. Res. 35 11 1996 3984 3990
19. P.A. Marrone, T.A. Arias, W.A. Peters, and J.W. Tester Solvation effects on kinetics of methylene chloride reactions in sub- and supercritical water: theory, experiment, and ab initio calculations J. Phys. Chem. A 102 35 1998 7013 7028
20. R. Lachance, J. Paschkewitz, J.L. DiNaro, and J.W. Tester Thiodiglycol hydrolysis and oxidation in sub- and supercritical water J. Supercrit. Fluids 16 2 1999 133 147
21. J.L. DiNaro, J.W. Tester, K.C. Swallow, and J.B. Howard Experimental measurements of benzene oxidation in supercritical water AIChE J. 46 11 2000 2274 2284
22. J.D. Taylor, J.I. Steinfeld, and J.W. Tester Experimental measurement of the rate of methyl tert-butyl ether hydrolysis in sub- and supercritical water Ind. Eng. Chem. Res. 40 1 2001 67 74
23. 3 alcohols and acetic acid in high-temperature water Ind. Eng. Chem. Res. 32 11 1993 2464 2473
24. 2 AIChE J. 41 8 1995 1874
25. M.K. Alkam, V.M. Pai, P.B. Butler, and W.J. Pitz Methanol and hydrogen oxidation kinetics in water at supercritical states Combust. Flame 106 1996 110 130
26. P. Dagaut, M. Cathonnet, and J.-C. Boettner Chemical kinetic modeling of the supercritical water oxidation of methanol J. Supercrit. Fluids 98 1996 33 42
27. E.E. Brock, Y. Oshima, P.E. Savage, and J.R. Barker Kinetics and mechanism of methanol oxidation in supercritical water J. Phys. Chem. 100 39 1996 15834 15842
28. S.F. Rice Application of the GRI 1.2 methane oxidation model to methane and methanol oxidation in supercritical water Proceedings of the Fourth International Symposium on Supercritical Fluids; International Society for the Advancement of Supercritical Fluids Sendai, Japan 1997 571
29. E.E. Brock, P.E. Savage, and J.R. Barker A reduced mechanism for methanol oxidation in supercritical water Chem. Eng. Sci. 53 5 1998 857 867
30. P.E. Savage, J. Rovira, N. Stylski, and C.J. Martino Oxidation kinetics for methane/methanol mixtures in supercritical water J. Supercrit. Fluids 17 2000 155 170
31. Y. Oshima, B. Bijanto, and S. Koda PFR and CSTR analyses of supercritical water oxidation of methanol J. Chem. Eng. Jpn. 33 3 2000 507 513
32. P.A. Webley, J.W. Tester, Fundamental kinetics of methanol oxidation in supercritical water, in: K.P. Johnston, J.M.L. Penninger (Eds.), Supercritical Fluid Science and Technology, ACS Symposium Series 406; American Chemical Society, Washington, DC, 1989, pp. 259-275.
33. J.W. Tester, P.A. Webley, and H.R. Holgate Revised global kinetic measurements of methanol oxidation in supercritical water Ind. Eng. Chem. Res. 32 1 1993 236 239
34. S.F. Rice, T.B. Hunter, Å.C. Rydén, and R.G. Hanush Raman spectroscopic measurement of oxidation in supercritical water. 1. Conversion of methanol to formaldehyde Ind. Eng. Chem. Res. 35 7 1996 2161 2171
35. B.D. Phenix, Hydrothermal oxidation of simple organic compounds, Ph.D. thesis, Department of Chemical Engineering, Massachusetts Institute of Technology, Cambridge, MA, 1998.
36. P.A. Marrone, Hydrolysis and oxidation of model organic compounds in sub- and supercritical water: reactor design, kinetics measurements, and modeling, Ph.D. thesis, Department of Chemical Engineering, Massachusetts Institute of Technology, Cambridge, MA, 1998.
37. G. Anitescu, Z. Zhang, and L.L. Tavlarides A kinetic study of methanol oxidation in supercritical water Ind. Eng. Chem. Res. 38 6 1999 2231 2237
38. S. Koda, C.J. Martino, S. Kuroiwa, T. Ebukuro, A. Takami, Y. Oshima, K. Yamashita, Raman spectroscopic study of methanol-water interaction and methanol oxidation in high pressure and high temperature water, Presented at the 13th International Conference on the Properties of Water and Steam (ICPWS), Toronto, Canada, September 12-16, 1999.
39. J.H. Lee, and N.R. Foster Oxidation of methanol in supercritical water J. Ind. Eng. Chem. (Korea) 5 2 1999 116 122
40. S. Koda, N. Kanno, and H. Fujiwara Kinetics of supercritical water oxidation of methanol studied in a CSTR by means of raman spectroscopy Ind. Eng. Chem. Res. 40 18 2001 3861 3868
41. D. Bröll, Partialoxidationen in überkritischem Wasser mit molekularem Sauerstoff, Die Reaktionen von Methanol, Methan und Propylen mit und ohne Silberkatalysatoren, Ph.D. thesis, Fachbereich Chemie, Technische Universität Darmstadt, Germany, 2001.
42. B.D. Phenix, J.L. DiNaro, J.W. Tester, J.B. Howard, and K.A. Smith The effects of mixing and oxidant choice on laboratory-scale measurements of supercritical water oxidation kinetics Ind. Eng. Chem. Res. 41 3 2002 624 631
43. F. Cansell, P. Beslin, and B. Berdeu Hydrothermal oxidation of model molecules and industrial wastes Environ. Prog. 17 4 1998 240 245
44. A. Kruse, and H. Schmieder Supercritical oxidation in water and carbon dioxide Environ. Prog. 17 4 1998 234 239
45. A. Kruse, H. Ederer, C. Mas, H. Schmieder, Kinetic studies of methanol oxidation in supercritical water and carbon dioxide, in: Supercritical Fluids: Fundamentals and Applications, NATO Science Series E, vol. 366, Proceedings of the NATO Advanced Study Institute on Supercritical Fluids - Fundamentals and Applications, Kemer, Antalya, Turkey, July 12-24, 1998, Kluwer Academic Publishers, Dordrecht, The Netherlands, 2000, pp. 439-450.
46. M. Watanabe, K. Sue, T. Adschiri, H. Inomata, R.L. Smith Jr., and K. Arai Control of methanol oxidation by ionic behavior in supercritical water Chem. Commun. 2001 2270 2271
47. L.T. Boock, and M.T. Klein Experimental kinetics and mechanistic modeling of the oxidation of simple mixtures in near-critical water Ind. Eng. Chem. Res. 33 11 1994 2554 2562
48. W. Schilling, E.U. Franck, Combustion, and Diffusion Flames at high-pressures to 2000 bar Ber. Bunsenges. Phys. Chem. 92 5 1988 631 636
49. R.R. Steeper, S.F. Rice, M.S. Brown, and S.C. Johnston Methane and methanol diffusion flames in supercritical water J. Supercrit. Fluids 5 4 1992 262 268
50. H.L. La Roche, Wandgekühlter Hydrothermalbrenner (WHB) für die überkritische Nassoxidation (wall-cooled hydrothermal burner WHB for supercritical water oxidation), Ph.D. thesis, Department of Mechanical and Process Engineering, Swiss Federal Institute of Technology ETH, Zürich, Switzerland, 1996.
51. M. Weber, Ch. Trepp, Required fuel contents for sewage disposal by means of supercritical wet oxidation (SCWO) in a pilot plant containing a wall cooled hydrothermal burner (WCHB), in: Ph. Rudolf von Rohr, Ch. Trepp (Eds.), High Pressure Chemical Engineering, Elsevier, Amsterdam, 1996, p. 565.
52. M. Weber, Apparate einer SCWO-Anlage und deren Leistungsfähigkeit (Components of an SCWO installation and its performance), Ph.D. thesis, Department of Mechanical and Process Engineering, Swiss Federal Institute of Technology ETH, Zürich, Switzerland, 1997.
53. P.A. Webley, Fundamental oxidation kinetics of simple compounds in supercritical water, Ph.D. thesis, Department of Chemical Engineering, Massachusetts Institute of Technology, Cambridge, MA, 1989.
54. H. Okamoto, N. Tanaka, and M. Naito Chaos in the oxidation of formaldehyde and/or methanol J. Phys. Chem. A 101 45 1997 8480 8488
55. A.H. Harvey, A.P. Peskin, S.A. Klein, NIST/ASME STEAM, NIST Standard Reference Database 10, Version 2.2, Boulder, CO, USA, 1996.
56. M. Heilig, and E.U. Franck Calculation of thermodynamic properties of binary fluid mixtures to high temperatures and high pressures Ber. Bunsenges. Phys. Chem. 93 1989 898
57. N. Zhou, A. Krishnan, F. Vogel, and W.A. Peters A computational model for supercritical water oxidation of organic toxic wastes Adv. Environ. Res. 4 2000 79 95
58. 2 in supercritical water Ind. Eng. Chem. Res. 37 5 1998 1755 1760
59. E. Croiset, S.F. Rice, and R.G. Hanush Hydrogen peroxide decomposition in supercritical water AIChE J. 43 9 1997 2343 2352
60. A.H. Cutler, M.J. Antal Jr., and M. Jones Jr. A critical evaluation of the plug-flow idealization of tubular-flow reactor data Ind. Eng. Chem. Res. 27 4 1988 691 697
61. S.V. Ramayya, and M.J. Antal Jr. Evaluation of systematic error incurred in the plug flow idealization of tubular flow reactor data Energy Fuels 3 1989 105 108
62. C.Y. Wen A. Pethö R.D. Noble Residence Time Distribution Theory in Chemical Engineering 1982 Verlag Chemie Weinheim
63. O. Levenspiel Chemical Reaction Engineering second ed. 1972 Wiley New York
64. A. Lee, Quantifying the effect of shape and flow orientation in bench-scale supercritical water oxidation reactors, Presented at the Fourth International Conference on Advanced Oxidation Technologies (AOTs-4), Orlando, USA, September 23-26, 1997.
65. H. Tennekes, and J.L. Lumley A First Course in Turbulence 1972 MIT Press Cambridge, USA
66. S.V. Ramayya, A. Brittain, C. De Almeida, W. Mok, and M.J. Antal Jr. Acid-catalyzed dehydration of alcohols in supercritical water Fuel 66 1987 1364 1371
67. X. Xu, C.P. De Almeida, and M.J. Antal Jr. Mechanism and kinetics of the acid-catalyzed formation of ethene and diethyl ether from ethanol in supercritical water Ind. Eng. Chem. Res. 30 7 1991 1478 1485
68. V.I. Anikeev, A. Ermakova, J.A. Manion, and R. Hugh Reaction kinetics of 2-propanol dehydration in supercritical water Kinet. Catal. 43 2 2002 189 194
69. L. Li, and N.O. Egiebor Feedstream preheating effect on supercritical water oxidation of dissolved organics Energy Fuels 8 5 1994 1126 1130
70. G. Berčič, and J. Levec Catalytic dehydration of methanol to dimethyl ether. Kinetic investigation and reactor simulation Ind. Eng. Chem. Res. 32 11 1993 2478 2484
71. W.L. Marshall, and E.U. Franck Ion product of water substance, 0-1000 °C, 1-10,000 bars. New international formulation and its background J. Phys. Chem. Ref. Data. 10 2 1981 295 304
72. P.E. Savage Organic chemical reactions in supercritical water Chem. Rev. 99 2 1999 603 621
73. Y. Tsujino, C. Wakai, N. Matubayashi, and M. Nakahara Noncatalytic cannizzaro-type reaction of formaldehyde in hot water Chem. Lett. 4 1999 287 288
74. 3 Catalyst Appl. Cat. A Gen. 97 1993 145 158
75. J. Yu, and P.E. Savage Decomposition of formic acid under hydrothermal conditions Ind. Eng. Chem. Res. 37 1 1998 2 10
76. T. Hirth, Pyrolyse, Hydrolyse und Oxidation kohlenstoffhaltiger Verbindungen in überkritischem Wasser bei Drücken bis 1000 bar (Pyrolysis, Hydrolysis, and Oxidation of Carbonaceous Compounds in Supercritical Water at Pressures up to 1000 bar), Ph.D. thesis, Department of Chemistry, University of Karlsruhe, Germany, 1992.
77. T. Hirth, and E.U. Franck Oxidation and hydrothermolysis of hydrocarbons in supercritical water at high pressures Ber. Bunsenges. Phys. Chem. 97 9 1993 1091 1098
78. T. Murayama, T. Chikahisa, J. Guo, M. Miyano, A study of a compression ignition methanol engine with converted dimethyl ether as an ignition improver, SAE Technical Paper Series 922212, 1992.
79. S.F. Rice, R.R. Steeper, and J.D. Aiken Water density effects on homogeneous water-gas shift reaction kinetics J. Phys. Chem. A 102 16 1998 2673 2678
80. P.A. Marrone, P.M. Gschwend, K.C. Swallow, W.A. Peters, and J.W. Tester Product distribution and reaction pathways for methylene chloride hydrolysis and oxidation under hydrothermal conditions J. Supercrit. Fluids 12 1998 239 254
81. N. Boukis, V. Diem, W. Habicht, and E. Dinjus Methanol reforming in supercritical water Ind. Eng. Chem. Res. 42 4 2003 728 735
82. C. O'Brien, Department of Chemical Engineering, Clemson University, Clemson, SC, personal communication by electronic mail, November 2000.
83. T.J. Wightman, Studies in supercritical wet air oxidation, M.S. thesis, University of California at Berkeley, 1981.
84. C.A. LaJeunesse, S.F. Rice, J.J. Bartel, M. Kelley, C.A. Seibel, L.G. Hoffa, T.F. Eklund, B.C. Odegard, A supercritical water oxidation reactor: the materials evaluation reactor (MER); Sandia National Laboratories Report, SAND 91-8623, 1992.
85. S.F. Rice, R.R. Steeper, C.A. LaJeunesse, destruction of representative navy wastes using supercritical water oxidation, Sandia National Laboratories Report, SAND94-8203, 1993.
86. S.F. Rice, C.A. LaJeunesse, R.G. Hanush, J.D. Aiken, S.C. Johnston, Supercritical water oxidation of colored smoke, dye, and pyrotechnic compositions, Sandia National Laboratories Report, SAND94-8209, 1994.
87. P. Beslin, F. Cansell, B. Berdeu, Y. Garrabos, G. Demazeau, and D. Sentagnes Hydrothermal treatment of organic wastes application to model compounds Proceedings of the First European Congress on Chemical Engineering vol. 1, AIDIC, Milano, Italy 1997 651 654
88. A.L. Bourhis, K.C. Swallow, G.T. Hong, W.R. Killilea, The use of rate enhancers in supercritical water oxidation, in: K.W. Hutchenson, N.R. Foster (Eds.), Innovations in Supercritical Fluids, ACS Symposium Series 608, American Chemical Society, Washington, DC, 1995, p. 338.
89. A. Kruse, Forschungszentrum Karlsruhe, Germany, personal communication by electronic mail, February 2002.
90. S.P. Maharrey, and D.R. Miller A direct sampling mass spectrometer investigation of oxidation mechanisms for acetic acid in supercritical water J. Phys. Chem. A 105 24 2001 5860 5867
91. F. Vogel, K.A. Smith, J.W. Tester, and W.A. Peters Engineering kinetics for hydrothermal oxidation of hazardous organic substances AIChE J. 48 8 2002 1827 1839
92. J.L. DiNaro, J.B. Howard, W.H. Green, J.W. Tester, and J.W. Bozzelli Elementary reaction mechanism for benzene oxidation in supercritical water J. Phys. Chem. A 104 45 2000 10576 10586