Ethane oxidation at elevated pressures in the intermediate temperature regime: Experiments and modeling

Combustion and Flame

Volumn 104, Issue 4, 1996, Pages 505-523

  Hunter, T B ^a,d   Litzinger, T A ^a   Wang, H ^b,c   Frenklach, M ^b,e  

^a The Pennsylvania State University   (United States)

^b PENNSYLVANIA STATE UNIVERSITY   (United States)

^c Princeton University   (United States)

^d SANDIA NATIONAL LABORATORIES   (United States)

^e UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ETHANE; OXIDATION; PRESSURE EFFECTS;

EXPERIMENTAL STUDY; KINETICS; MODELING; REACTION MECHANISM;

COMBUSTION;

ALDEHYDE; ETHANE; ETHYLENE OXIDE; HYDROGEN PEROXIDE;

ARTICLE; CHEMICAL REACTION KINETICS; MODEL; OXIDATION; PRESSURE; PRIORITY JOURNAL; PYROLYSIS; REACTION ANALYSIS; TEMPERATURE;

EID: 0029864375     PISSN: 00102180     EISSN: None     Source Type: Journal    
DOI: 10.1016/0010-2180(95)00154-9     Document Type: Article

References (78)

1. Dagaut, P., Cathonnet, M., and Boettner, J.-C., Combust. Sci. Technol. 83:167-185 (1992).
2. Hoffman, J. S., Ph.D. thesis, The Pennsylvania State University, Department of Mechanical Engineering, 1991.
3. Dagaut, P., Cathonnet, M., and Boettner, J.-C., Int. J. Chem. Kinet. 24:813-837 (1992).
4. Wilk, R.D., Cernansky, N. P., Pitz, W. H., and Westbrook, C. K., Combust. Flame 77:145-170 (1989).
5. Hoffman, J. S., Lee, W., Litzinger, T. A., Santavicca, D. A., and Pitz, W. J., Combust. Sci. Technol. 77:95-125 (1991).
6. Daguat, P., Boettner, J.-C., and Cathonnet, M., Int. J. Chem. Kinet. 22:641-664 (1990).
7. Vaughn, C. B., Sun, W. H., Howard, J. B., and Long-well, J. P., Combust. Flame 84:38-46 (1991).
8. Hunter, T. B., Wang, H., Litzinger, T. A., and Frenklach, M., Combust. Flame 97:201-224 (1994).
9. Dryer, F. L., and Glassman, I., Fourteenth Symposium (International) on Combustion, The Combustion Institute, Pittsburgh, 1972, pp. 987-1003.
10. Dagaut, P., Boettner, J. C., and Cathonnet, M., Combust. Sci. Technol. 77:127-148 (1991).
11. Westbrook, C. K., Combust. Sci. Technol. 20:5-17 (1979).
12. Coffee, T. P., Combust. Flame 55:161-170 (1984).
13. Olson, D. B., and Gardiner, W. C., Jr., J. Phys. Chem. 81:2514-2519 (1977).
14. Spadaccini, L. J., and Colket, M. B., III, Prog. Ener. Combust. Sci. 20:431-460 (1994).
15. Dryer, F. L., The Phenomenology of Modeling Combustion Chemistry, in Fossil Fuel Combustion (W. Bartok and A. F. Sarofim, Ed.), Wiley, New York, 1991, pp. 121-213.
16. Mulholland, J. A., Sarofim, A. F., and Beér, J. M., Combust. Sci. Technol. 87:139-156 (1992).
17. Hennessy, R. J., Robinson, C., and Smith, D. B., Twenty-First Symposium (International) on Combustion, The Combustion Institute, Pittsburgh, PA, 1986, pp. 761-772.
18. Bernstein, J. S., Fein, A., Choi, J. B., Cool, T. A., Sausa, R. C., Howard, S. L., Locke, R. J., and Miziolek, A. W., Combust. Flame 92:85-105 (1993).
19. Fristrom, R. M., Avery, W. H., and Grunfelder, C., Seventh Symposium (International) on Combustion, The Combustion Institute, Pittsburgh, PA, 1959, pp. 304-310.
20. Gibbs, G. J., and Calcote, H. F., J. Chem. Eng. Data 4:226-237 (1959).
21. Egolfopoulos, F. N., Zhu, D. L., and Law, C. K., Twenty-Third Symposium (International) on Combustion, The Combustion Institute, Pittsburgh, PA, 1990, pp. 471-478.
22. Hidaka, Y., Gardiner, W. C., Jr., and Eubank, C. S., J. Mol. Sci. 2:141-153 (1982).
23. Takahashi, K., Inomata, T., Moriwaki, T., and Okazaki, S., Bull. Chem. Soc. Jpn. 62:2138-2145 (1989).
24. Burcat, A., Scheller, K., and Lifshitz, A., Combust. Flame 16:29-33 (1971).
25. Burcat, A., Crossley, R. W., Scheller, K., and Skinner, G. B., Combust. Flame 18:115-123 (1972).
26. Cooke, D. F., and Williams, A., Combust. Flame 24:245-256 (1975).
27. Carter, C. D., King, G. B., and Laurendeau, N. M., Combust. Sci. Technol. 78:247-264 (1991).
28. Reisel, J. R., Carter, C. D., Laurendeau, N. M., and Drake, M. C., Combust. Sci. Technol. 91:271-295 (1993).
29. Reisel, J. R., Carter, C. D., and Laurendeau, N. M., Combust Flame 92:485-489 (1993).
30. Dagaut, P., Cathonnet, M., and Boettner, J.-C., Int. J. Chem. Kinet. 23:437-455 (1991).
31. Wagner, A. F., Slagle, I. R., Sarzynski, D., and Gutman, D., J. Phys. Chem. 94:1853-1868 (1990).
32. Bozzelli, J. W., and Dean, A. M., J. Phys. Chem. 94:3313-3317 (1990).
33. Slagle, I. R., Ratajczak, and Gutman, D., J. Phys. Chem. 90:402-407 (1986).
34. Quelch, G. E., Gallo, M. M., and Schaefer, H. F., III, J. Am. Chem. Soc. 114:8239-8247 (1992).
35. Frenklach, M., Wang, H., Bowman, C. T., Hanson, R. K., Smith, G. P., Golden, D. M., Gardiner, W. C., and Lissianski, V., Twenty-Fifth Symposium (International) on Combustion, The Combustion Institute, Pittsburgh, PA, 1994 (additional information on the GRI project and mechanisms can be obtained from the WWW site, http://www.me.berkeley.edu/gri_ mech or from the FTP site, vax.sri.com).
36. Hunter, T. B., Ph.D. thesis, The Pennsylvania State University, Department of Mechanical Engineering, 1994.
37. Tsang, W., and Hampson, R. F., J. Phys. Chem. Ref. Data 15:1087-1279 (1986).
38. Tsang, W., J. Phys. Chem. Ref. Data 16:471-508 (1987).
39. Kaiser, E. W., Westbrook, C. K., and Pitz, W. J., Int. J. Chem. Kinet. 18:655-688 (1986).
40. Cathonnet, M., Gaillard, F., Boettner, J. C., Cambray, P., Karmed, D., and Bellet, J. C., Twentieth Symposium (International) on Combustion, The Combustion Institute, Pittsburgh, PA, 1984, p. 819.
41. Hair, L. M., Pitz, W. J., Droege, M. W., and Westbrook, C. K., Symposium on Computer Applications in Fuel Chemistry, American Chemical Society, April 14-19, 1991, p.
42. Baulch, D. L., Cobos, C. J., Cox, R. A., Esser, C., Frank, P., Just, T., Kerr, J. A., Pilling, M. J., Troe, J., Walker, R. W., and Warnatz, J., J. Phys. Chem. Ref. Data 21:411-429 (1992).
43. Allara, D. L., and Shaw, R., J. Phys. Chem. Ref. Data 9:523-560 (1980).
44. Warnatz, J., in Combustion Chemistry (W. C. Gardiner, Jr., Ed.), Springer-Verlag, New York, 1984, Chap. 5.
45. Kerr, J. A., and Parsonage, M. J., Evaluated Kinetic Data on Gas Phase Hydrogen Transfer Reactions of Methyl Radicals, Butterworth, London, 1976.
46. Colket, M. B., III, Ph.D. thesis, Princeton University, Aerospace and Mechanical Sciences, 1975.
47. Colket, M. B., III, Naegeli, D. W., and Glassman, I., Sixteenth Symposium (International) on Combustion, The Combustion Institute, Pittsburgh, PA, 1977, p. 1023-1039.
48. Baldwin, R. R., Keen, A., and Walker, R. W., J. Chem. Soc. Farad. Trans. I 80:435 (1984).
49. Batt, L., Int. J. Chem. Kinet. 11:977-993 (1979).
50. Baldwin, R. R., Dean, C. E., and Walker, R. W., J. Chem. Soc. Farad. Trans. II 82:1445 (1986).
51. Bamford, C. H., and Tipper, C. F. H. (Ed.), Comprehensive Chemical Kinetics, Gas Phase Combustion, Elsevier, New York, 1977, vol. 17, chap. 2.
52. Dagaut, P., Cathonnet, M., and Boettner, J. C., Combust. Sci. Technol. 71:111 (1990).
53. Perry, R. A., J. Chem. Phys. 80:153 (1984).
54. Tully, F. P., and Goldsmith, J. E. M., Chem. Phys. Lett. 116:345 (1985).
55. Colket, M. B., III, Naegeli, D. W., and Glassman, I., Int. J. Chem. Kinet. 7:223 (1975).
56. Sundaram, K. M., and Froment, F. G., Ind. Eng. Chem. Fundam. 17:174 (1978).
57. Albers, E. A., Hoyermann, K., Wagner, H. G., and Wolfrum, J., Thirteenth Symposium (International) on Combustion, The Combustion Institute, Pittsburgh, PA, 1971, p. 81.
58. Baldwin, R. B., Dean, C. E., Honeyman, M. R., and Walker, R. W., J. Chem. Soc. Farad. Trans. I 82:89-102 (1986).
59. Baldwin, R. B., Jones, P. N., and Walker, R. W., J. Chem. Soc. Farad. Trans. II 84:199-207 (1988).
60. Bozzelli, J. W., and Dean, A. M., J. Phys. Chem. 97:4427-4441 (1993).
61. 4 Mechanism, 1994.
62. Pitz, W. J., Westbrook, C. K., and Leppard, W. R., SAE Trans. paper No. 912315 (1991).
63. McBride, B. J., personal communication; Gordon, S., and McBride, B. J., National Aeronautics and Space Administration Rep. NASA SP-273 (1976): see also Burcat, A., in Combustion Chemistry (W. C. Gardiner, Jr., Ed.), Springer-Verlag, New York, 1984, chap. 8; Burcat, A., McBride, B., and Rabinowitz, M., Technion Rep. T.A.E. 657 (1990).
64. McBride, B. J., personal communication; Gordon, S., and McBride, B. J., National Aeronautics and Space Administration Rep. NASA SP-273 (1976): see also Burcat, A., in Combustion Chemistry (W. C. Gardiner, Jr., Ed.), Springer-Verlag, New York, 1984, chap. 8; Burcat, A., McBride, B., and Rabinowitz, M., Technion Rep. T.A.E. 657 (1990).
65. McBride, B. J., personal communication; Gordon, S., and McBride, B. J., National Aeronautics and Space Administration Rep. NASA SP-273 (1976): see also Burcat, A., in Combustion Chemistry (W. C. Gardiner, Jr., Ed.), Springer-Verlag, New York, 1984, chap. 8; Burcat, A., McBride, B., and Rabinowitz, M., Technion Rep. T.A.E. 657 (1990).
66. McBride, B. J., personal communication; Gordon, S., and McBride, B. J., National Aeronautics and Space Administration Rep. NASA SP-273 (1976): see also Burcat, A., in Combustion Chemistry (W. C. Gardiner, Jr., Ed.), Springer-Verlag, New York, 1984, chap. 8; Burcat, A., McBride, B., and Rabinowitz, M., Technion Rep. T.A.E. 657 (1990).
67. Ritter, E. R., and Bozzelli, J. W., Int. J. Chem. Kinet. 23:767-778 (1991).
68. Ritter, E. R., J. Chem. Inf. Comput. Sci. 31:400-408 (1991).
69. Hindmarsh, A. C., LSODE (March 30, 1987 version): Odepack, A Systematized Collection of ODE Solvers, in Scientific Computing, (Stepleman, R. S., Ed.), North-Holland, Amsterdam, 1983, p. 55-64.
70. Hippler, H., Troe, J., and Wilner, J., J. Chem. Phys. 93:1755-1760 (1990).
71. Seery, D. J., and Bowman, C. T., Combust. Flame 14:37-48 (1970).
72. Dean, A. M., Johnson, R. L., and Steiner, D. C., Combust. Flame 37:41-62 (1980).
73. Frenklach, M., and Bornside, D. E., Combust. Flame 56:1-27 (1984).
74. Lifshitz, A., Scheller, K., Burcat, A., and Skinner, G. B., Combust. Flame 16:311-321 (1971).
75. Tsuboi, T., and Wagner, H. G., Fifteenth Symposium (International) on Combustion, The Combustion Institute, Pittsburgh, PA, 1974, pp. 883-890.
76. Crossley, R. W., Dorko, E. A., Scheller, K., and Burcat, A., Combust. Flame 19:373-378 (1972).
77. Vagelpoulos, C. M., Egolfopoulos, F. N., and Law, C. K., Twenty-Fifth Symposium (International) on Combustion, The Combustion Institute, Pittsburgh, PA, 1994, pp. 1341-1347.
78. Egolfopoulos, F. N., personal communication, 1994.