Direct partial oxidation of natural gas to liquid chemicals: Chemical kinetic modeling and global optimization

Industrial and Engineering Chemistry Research

Volumn 47, Issue 17, 2008, Pages 6579-6588

  Rasmussen, Christian Lund ^a   Glarborg, Peter ^a  

^a TECHNICAL UNIVERSITY OF DENMARK   (Denmark)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL OXYGEN DEMAND; EXPERIMENTS; FLUID DYNAMICS; FLUID MECHANICS; GAS INDUSTRY; INDICATORS (CHEMICAL); LAMINAR FLOW; MATHEMATICAL PROGRAMMING; METHANE; METHANOL; OXIDATION; OXIDE MINERALS; QUARTZ;

CHEMICAL KINETIC MODELING; GAS TO LIQUID; PARTIAL OXIDATION; PARTIAL OXIDATION OF METHANE; PRESSURE DATA; QUARTZ REACTORS;

GLOBAL OPTIMIZATION;

EID: 51849154173     PISSN: 08885885     EISSN: None     Source Type: Journal    
DOI: 10.1021/ie800137d     Document Type: Conference Paper

References (90)

1. Lewis, W. K.; Frölich, P. K. Synthesis of methanol from carbon monoxide and hydrogen. Ind. Eng. Chem. 1928, 20, 285.
2. Davies, P.; Snowdon, F. F. Production of oxygenated hydrocarbons. United States Patent 3,326,956, 1967.
3. Stiles, A. B. Methanol, past and present, speculation on the future. AIChE J. 197723, 362.
4. Bone, W. A.; Wheeler, R. V. The slow oxidation of methane at low temperature. J. Chem. Soc.; Trans. 1902, 81, 535.
5. Bone, W. A.; Wheeler, R. V. The slow oxidation of methane at low temperature. Part n. J. Chem. Soc.; Trans. 1903, 83, 1074.
6. Newitt, D. M.; Haffner, A. E. The formation of methyl alcohol and formaldehyde in the slow combustion of methane at high pressures. Proc. R. Soc. London, Ser. A 1932, 125, 277.
7. Wiezevich, P. J.; Frölich, P. K. Direct oxidation of saturated hydrocarbons at high pressures. Ind. Eng. Chem. 1934, 26, 267.
8. Lott, J. L.; Sliepcevich, C. M. Partial oxidation of methane at high pressures. Ind. Eng. Chem. Process Des. Dev. 1967, 6, 67.
9. Yarlagadda, P. S.; Morton, L. A.; Hunter, N. R.; Gesser, H. D. Direct conversion of methane to methanol in a flow reactor. Ind. Eng. Chem. Res. 1988, 27, 252.
10. Burch, R.; Squire, G. D.; Tsang, S. C. Direct conversion of methane into methanol. J. Chem. Soc., Faraday Trans. 1 1989, 85, 3561.
11. Hunter, N. R.; Gesser, H. D.; Morton, L. A.; Yarlagadda, P. S. Methanol formation at high pressure by the catalyzed oxidation of natural gas and by the sensitized oxidation of methane. Appl. Catal. 1990, 57, 45.
12. Gesser, H. D.; Hunter, N. R.; Morton, L. A. The direct conversion of methane to methanol. Symposium on Methane Upgrading. Presented before the Division of Petroleum Chemistry; Inc., at the Atlanta Meeting of the American Chemical Society, Atlanta, GA, April 14-19, 160, 1991.
13. Rytz, D. W.; Baiker, A. Partial oxidation of methane to methanol in a flow reactor at elevated pressure. Ind. Eng. Chem. Res. 1991, 30, 2287.
14. Thomas, D. J.; Willi, R.; Baiker, A. Partial oxidation of methane: The role of surface reactions. Ind. Eng. Chem. Res. 1992, 31, 2272.
15. Foulds, G. A.; Gray, B. F.; Miller, S. A.; Walker, G. S. Homogeneous gas-phase oxidation of methane using oxygen as oxidant in an annular reactor. Ind. Eng. Chem. Res. 1993, 32, 780.
16. Chun, J.-W.; Anthony, R. G. Catalytic oxidations of methane to methanol. Ind. Eng. Chem. Res. 1993, 32, 259.
17. Casey, P. S.; McAllister, T.; Foger, K. Selective oxidation of methane to methanol at high pressure. Ind. Eng. Chem. Res. 1994, 33, 1120.
18. Omata, K.; Fukuoka, N.; Fujimoto, K. Methane partial oxidation to methanol. 1. Effects of reaction conditions; additives. Ind. Eng. Chem. Res. 1994, 33, 784.
19. Feng, W.; Knopf, F. C.; Dooley, K. M. Effects of pressure, third bodies, and temperature profiling on the noncatalytic partial oxidation of methane. Energy Fuels 1994, 8, 815.
20. Lødeng, R.; Lindvåg, O. A.; Søraker, P.; Roterud, P. T.; Onsager, O. T. Experimental and modeling study of the selective homogeneous gas phase oxidation of methane to methanol. Ind. Eng. Chem. Res. 1995, 34, 1044.
21. 2 at high oxygen conversions. Ind. Eng. Chem. Res. 1997, 36, 1401.
22. Zhang, Q.; He, D.; Li, J.; Xu, B.; Liang, Y.; Zhu, Q. Comparatively high yield methanol production from gas phase partial oxidation of methane. Appl. Catal., A 2002, 224, 201.
23. Chellappa, A. S.; Viswanath, D. S. Partial oxidation of methane using ferric molybdate catalyst. Ind. Eng. Chem. Res. 1995, 34, 1933.
24. Wang, X.; Wang, Y.; Tang, Q.; Guo, Q.; Zhang, Q.; Wan, H. MCM-41-supported iron phosphate catalyst for partial oxidation of methane to oxygenates with oxygen and nitrous oxide. J. Catal. 2003, 217, 457.
25. Hahm, H.-S.; Park, E.-S.; Cheon, H.-J.; Kim, Y.-K.; Lim, Y.-S.; Kim, M.-S.; Park, H.-S. Methanol synthesis by partial oxidation of methane. J. Chem. Eng. Jpn. 2004, 37, 152.
26. Kuo, J. C. W.; Kresge, C. T.; Palermo, R. E. Evaluation of direct methane conversion to higher hydrocarbons and oxygenates. Catal. Today 1989, 4, 463.
27. Langez, J.-P.; Tijm, P. J. A. Processes for converting methane to liquid fuels: Economic screening through energy management. Chem. Eng. Sci. 1996, 51, 2379.
28. Arutyunov, V. S.; Rudakov, V. M.; Savchenko, V. I.; Sheverdenkin, E. V.; Sherverdenkina, O. G.; Yu. Zheltyanov, A. Partial alkane oxidation kinetics at high pressures: Methane oxidation in stainless steel and quartz reactors. Theor. Found. Chem. Eng. 2002, 36, 472.
29. Sheverdenkin, E. V.; Arutyunov, V. S.; Rudakov, V. M.; Savchenko, V. I.; Solokov, O. V. Kinetics of partial oxidation of alkanes at high pressures: Oxidation of ethane and methane-ethane mixtures. Theor. Found. Chem. Eng. 2004, 38, 311.
30. Vedeneev, V. I.; Ya, M; Goldenberg, N. I; Gorban, M. A. Teitel'boim. Quantitative model of the oxidation of methane at high pressures. 1. Description of model. Kinet. Catal. 1988, 29, 1.
31. Vedeneev, V. I.; Arutyunov, V. S.; Krymov, N. Yu.; Cherbakov, P. M.; Sedykh, A. D. Some features of methane oxidation at high pressure. Catal. Today 1992, 13, 613.
32. Vedeneev, V. I.; Arutyunov, V. S.; Basevich, V. Ya.; Goldenberg, M. Ya.; Teitel'boim, M. A.; Krymov, N.; Yu. Role of pressure in homogeneous and/or catalytic oxidation of methane. Catal. Today 1994, 27, 527.
33. Vedeneev, V. I.; Krylov, O. V.; Arutyunov, V. S.; Basevich, V. Ya.; Goldenberg, M. Ya.; Teitel'boim, M. A. The role of initiation in oxidative coupling of methane. Appl Catal., A 1995, 127, 51.
34. Mackie, J. C. Partial oxidation of methane, The role of the gas phase reactions. Catal. Rev.-Sci. Eng. 1991, 33, 169.
35. Arutyunov, V. S.; Basevich, V. Ya.; Vedeneev, V. I.; Romanovich, L. B. Kinetic modeling of direct gas-phase methane oxidation to methanol at high pressures. Kinet. Catal. 1996, 37, 16.
36. Gesser, H. D.; Hunter, N. R.; Prakash, C. B. The direct conversion of methane to methanol by controlled oxidation. Chem. Rev. 1985, 85, 235.
37. Arutyunov, V. S.; Basevich, V. Ya.; Vedeneev, V. I. Modern state of direct high pressure partial oxidation of natural gas to methanol. Ind. Eng. Chem. Res. 1995, 34, 4238.
38. Foulds, G. A.; Gray, B. F. Homogeneous gas-phase partial oxidation of methane to methanol and formaldehyde. Fuel Process. Tech. 1995, 42, 129.
39. Gesser, H. D.; Hunter, N. R. A review of C-I conversion chemistry. Catal. Today 1998, 42, 183.
40. Zhang, Q.; He, D.; Zhu, Q. Recent progress in direct partial oxidation of methane. J. Natur. Gas Chem. 2003, 12, 81.
41. Brockhaus, R. Process for the manufacture of mixtures of formaldehyde and methanol by partial oxidation of methane. German Patent 2201429, 1973;Chemische Werke Hüls AG.
42. Gesser, H. D.; Hunter, N. R.; Morton, L. A. Direct conversion of natural gas to methanol by controlled oxidation. US Patent 4,618,732, 1986.
43. Sweeney, M. P. Partial oxidation system. US Patent 4,760,210, 1988.
44. Fujimoto, K.; Hideo, O. Production of methanol by partial oxidation of methane. Japenese Patent 7112946, 1995; Japan Petroleum Exploration Company.
45. Arutyunov, V. S.; Vedeneev V. I.; Krymov N. Yu. Process for preparing methanol. Russian Patent 2049086, 1996;N. Proizv. Predpr. Tekhnoprom. (RU).
46. 2 Conversion at High Pressure. Int. J. Chem. Kinet. 2008, 40, 454.
47. 3OH + OH reaction. Int. J. Chem. Kinet. 2008, 40, 423.
48. 2 Conversion at High Pressure, in press.
49. 4 Oxidation at High Pressure. Combust. Flame, in press.
50. 2 surface-a quantum chemical study. Ind. Eng. Chem. Res. 2000, 39, 250.
51. Bone, W. A. The Bakerian Lecture. The Combustion of Hydrocarbons. Proc. R. Soc. London, Ser. A 1932, 137, 243.
52. Callendar, H. L. Dopes and detonation. Engineering 1927, 123, 182.
53. Norrish, R. G. W. The theory of the combustion of hydrocarbons. Proc. R. Soc. London, Ser. A 1935, 150, 36.
54. Norrish, R. G. W.; Foord, S. G. The kinetics of the combustion of methane. Proc. R. Soc. London, Ser. A 1936, 157, 503.
55. Pease, R. N. The mechanism of the slow oxidation of propane. J. Am. Chem. Soc. 1935, 57, 2296.
56. Ubbelohde, A. R. Investigation on the combustion of hydrocarbons. I. The influence of molecular structure on hydrocarbon combustion. Proc. R. Soc. London, Ser. A 1935, 152, 354.
57. von Elbe, G.; Lewis, B. The mechanism of the combustion of hydrocarbons. Proc. Combust. Inst. 1937, 2, 169.
58. von Elbe, G.; Lewis, B. The combustion of paraffin hydrocarbons. J. Am. Chem. Soc. 1937, 59, 976.
59. Onsager, O. T.; Lødeng, R.; Søraker, P.; Anundskaas, A.; Helleborg, B. The homogeneous gas phase oxidation of methane and the retarding effect of basic/inert surfaces. Catal. Today 1989, 4, 355.
60. Zanthoff, H.; Baerns, M. Oxidative coupling of methane in the gas phase. Kinetic simulation and experimental verification. Ind. Eng. Chem. Res. 1990, 29, 2.
61. Tsang, W.; Hampson, R. F. Chemical Kinetic Data Base for Combustion Chemistry. I. Methane and Related Compounds. J. Phys. Chem. Ref. Data 1986, 15, 1087.
62. Tsang, W. Chemical Kinetic Data Base for Combustion Chemistry. IL Methanol. J. Phys. Chem. Ref. Data 1987, 16, 471.
63. Ranzi, E.; Sogaro, A.; Gaffuri, P.; Pennati, G.; Faravelli, T. A wide range modelinng study of methane oxidation. Combust. Sci. Technol. 1994, 96, 279.
64. Lutz, A. E.; Kee, R. J.; Miller, J. A.; Senkin, A. Fortran Program for Predicting Homogeneous Gas Phase Chemical Kinetics With Sensitivity Analysis; Sandia Report SAND87-8248, Sandia National Laboratories: Livermore, CA, 1990.
65. Kee, R. J.; Rupley, F. M.; Miller, J. A. Chemkin II, A Fortran Chemical Kinetics Package for the Analysis of Gas Phase Chemical Kinetics; Sandia Report SAND89-8009, Sandia National Laboratories: Livermore, CA, 1989.
66. Govier, G. W.; Fogarasi, M. Pressure drop in wells producing gas; condensate. J. Can. Pet. Technol 1975, 14, 28.
67. Arutyunov, V. S. The role of pressure in partial oxidation of methane. Rus. Chem. Bull 2002, 51, 2170.
68. Foster, N. R. Direct catalytic oxidation of methane to methanol-a review. Appl. Catal. 1985, 19, 1.
69. Dixon, H. B.; Higgins, W. F. Ignition temperatures of gases in nitrous oxide. Mem. Proc. Manchester Lit. Philos. Soc. 1930, 73, 21.
70. Norrish, R. G. W.; Wallace, J. The reaction of methane; oxygen sensitized by nitrogen peroxide. Part I. Thermal ignition. Proc. R. Soc. London, Ser. A 1934, 145, 301.
71. Bromly, J. H.; Barnes, F. J.; Muris, S.; You, X.; Haynes, B. S. Kinetic and thermodynamic sensitivity analysis of the NO-sensitised oxidation of methane. Combust. Sci. Technol. 1996, 115, 259.
72. x and Ethane on CH4 Oxidation: High pressure and Intermediate Temperature Experiments and Modeling. Proc. Combust. Inst. 1998, 27, 397.
73. Bendtsen, A. B.; Glarborg, P.; Dam-Johansen, K. Low temperature oxidation of methane: The influence of nitrogen oxides. Combust. Sci. Technol. 2000, 151, 31.
74. Alzueta, M.; Bilbao, R.; Finestra, M. Methanol oxidation and its interaction with nitric oxide. Energy Fuels 2001, 15, 724.
75. Alzueta, M.; Hernández, J. M. Ethanol oxidation and its interaction with nitric oxide. Energy Fuels 2002, 16, 166.
76. Glarborg, P.; Alzueta, M. U.; Kjærgaard, K.; Dam-Johansen, K. Oxidation of formaldehyde and its interaction with nitric oxide in a flow reactor. Combust. Flame 2003, 115, 629.
77. Faravelli, T.; Frassoldati, A.; Ranzi, E. Kinetic modeling of the interactions between NO and hydrocarbons in the oxidation of hydrocarbons at low temperatures. Combust. Flame 2003, 132, 188.
78. Glarborg, P. Hidden Interactions - Trace Species Governing Combustion and Emissions. Proc. Combust. Inst. 2007, 31, 77.
79. 2 gaseous selective oxidation at 1 atm. Chem. Lett. 1999, Sep, 991.
80. 2. J. Phys. Chem. A 2000, 104, 2648.
81. 2O. Catal. Today 2001, 71, 37.
82. 2-NO at Atmospheric Pressure. Energy Fuels 2001, 15, 44.
83. x (x = 1, 2). Appl. Catal., A 2001, 205, 51.
84. Moore, R. A. Interval Analysis; Prentice-Hall: Englewood Cliffs, NJ, 1966.
85. Kearfott, R. B. Interval computations, Introduction, uses, and resources. Euromath Bull. 1996, 2, 95.
86. Rump, S. M. INTLAB-Interval Laboratory. In Developments in Reliable Computing; Kluwer Academic Publisher: New York, 1999; pp 77-104.
87. Rump, S. M. Intlab-interval laboratory; Hamburg University of Technology, Institute for Reliable Computing: Hamburg, Germany, 2006.
88. Henriksen, T.; Madsen, K. Parallel algorithms for global optimization. Interval Comput. 1992, 3, 88.
89. Rasmussen, C. L. Direct Partial Oxidation of Natural Gas to Liquid Chemicals. PhD thesis, Department of Chemical Engineering, Technical University of Denmark, Lyngby, Denmark, 2007.
90. Moore, R. E.; Ratschek, H. Inclusion functions and global optimization n. Math. Programm. 1988, 41, 341.