Advertisement

Advanced Molecular Characterization by Mass Spectrometry: Applications for Petroleum and Petrochemicals

  • S. G. Roussis
  • J. W. Fedora
  • W. P. Fitzgerald
  • A. S. Cameron
  • R. Proulx
Chapter
Part of the Modern Analytical Chemistry book series (MOAC)

Abstract

The availability of detailed molecular information about hydrocarbon feeds and products is important to many areas of the petroleum and petrochemical industries. Detailed compositional knowledge is needed for the development of novel raw material processing methods, the optimization of refinery processes, and the assurance of product quality. Compositional characterization across the boiling range is needed for property determination and overall valuation of crude oils. Development of control measures against corrosion requires knowledge about the nature and amounts of reactive sulfur and naphthenic acid compound types. Determination of the root-cause of refinery and chemical plant upsets depends on the availability of molecular information about the bulk hydrocarbon components, the additives, and the contaminants in the problematic streams.

Keywords

Atmospheric Pressure Chemical Ionization Energy Fuel Compound Type Ionization Method Naphthenic Acid 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.

Preview

Unable to display preview. Download preview PDF.

Unable to display preview. Download preview PDF.

References

  1. 1.
    Boduszynski, M. M. Energy Fuels 1987, 1, 2–11.CrossRefGoogle Scholar
  2. 2.
    Boduszynski, M. M. Energy Fuels 1988, 2, 597–613.CrossRefGoogle Scholar
  3. 3.
    Brown, R. A.; Taylor, R. C; Melpolder, F. W., Young, W. S. Anal. Chem. 1948, 20, 5–9.CrossRefGoogle Scholar
  4. 4.
    Brown, R. A. Anal. Chem. 1951, 23, 430–437.CrossRefGoogle Scholar
  5. 5.
    O’Neal, M. J.; Wier, T. P. Anal. Chem. 1951, 23, 830–843.CrossRefGoogle Scholar
  6. 6.
    Teeter, R. M. Mass Spectrom. Rev. 1985, 4, 123–143.CrossRefGoogle Scholar
  7. 7.
    Chasey, K. L.; Aczel, T. Energy Fuels 1991, 5, 386–394.CrossRefGoogle Scholar
  8. 8.
    Chapman, J. R. Practical Organic Mass Spectrometry: A Guide for Chemical and Biochemical Analysis; John Wiley & Sons: Chichester, 1993.Google Scholar
  9. 9.
    Ashcroft, A. E. Ionization Methods in Organic Mass Spectrometry; The Royal Society of Chemistry: Cambridge, 1997.Google Scholar
  10. 10.
    Gruse, W. A.; Stevens, D. R. Chemical Technology of Petroleum; McGraw-Hill: New York, 1960.Google Scholar
  11. 11.
    Canadian General Standards Board (CGSB) Method Can/CGSB-3.0 No. 14.3–99: “Standard Test Method for the Identification of Hydrocarbon Components in Automotive Gasoline Using Gas Chromatography”, Canadian General Standards Board, Ottawa, Canada, Kl A 1G6.Google Scholar
  12. 12.
    ASTM Method D 2427–87. Annual Book ofASTM Standards; American Society for Testing and Materials: Philadelphia, PA.Google Scholar
  13. 13.
    ASTM Method D 5769–95. Annual Book of ASTM Standards; American Society for Testing and Materials: Philadelphia, PA.Google Scholar
  14. 14.
    Teng, S. T.; Williams, A. D.; Urdal, K.; J. High Resol. Chromatogr. 1994, 17, 469–475.CrossRefGoogle Scholar
  15. 15.
    Altgelt, K. H.; Boduszynski, M. M. Composition and Analysis of Heavy Petroleum Fractions; Marcel Dekker: New York, 1994.Google Scholar
  16. 16.
    Tebbal, S.; Kane, R. D. Prepr.-Am. Chem. Soc, Div. Pet. Chem. 1998, 43, 1, 111–113.Google Scholar
  17. 17.
    Rizvi, S. Q. A. Lubr. Eng. 1999, 55, 4, 33–39.Google Scholar
  18. 18.
    Gallegos, E. J.; Green, J. W.; Lindeman, L. P.; LeTourneau, R. L.; Teeter, R. M. Anal. Chem. 1967, 14, 1833–1838.CrossRefGoogle Scholar
  19. 19.
    Bouquet, M.; Brument, J. Fuel Sci. Technol. Int. 1990, 8, 961–986.CrossRefGoogle Scholar
  20. 20.
    Fafet, A.; Bonnard, J.; Prigent, F. Oil Gas Sci. Technolog. 1999, 54, 453–462.CrossRefGoogle Scholar
  21. 21.
    Robinson, C. J. Anal. Chem. 1971, 43, 1425–1434.CrossRefGoogle Scholar
  22. 22.
    Roussis, S. G.; Fitzgerald, W. P. Anal. Chem. 2000, 72, 1400–1409.CrossRefGoogle Scholar
  23. 23.
    Ashe, T. R.; Roussis, S. G.; Fedora, J. W.; Felsky, G.; Fitzgerald, W. P. U.S. Patent 5,699,269 1997.Google Scholar
  24. 24.
    Scheppele, S. E.; Hsu, C. S.; Marriott, T. D.; Benson, P. A.; Detwilder, K. N.; Perreira, N. B. Int. J. Mass Spectrom. Ion Phys. 1978, 28, 335–346.CrossRefGoogle Scholar
  25. 25.
    Kasamatsu, K.; Noda, M. Sekiyu Gakkaishi 1983, 26, 369–376.CrossRefGoogle Scholar
  26. 26.
    Gallegos, E. J.; Fetzer, J. C; Carlson, R. M.; Pena, M. M. Energy Fuels 1991, 5, 376–381.CrossRefGoogle Scholar
  27. 27.
    Briker, Y.; Ring, Z.; Iacchelli, A.; McLean, N.; Fairbridge, C; Malhotra, R.; Coggiola, M. A.; Young, S. E.; Energy Fuels 2001, 15, 996–1002.CrossRefGoogle Scholar
  28. 28.
    Liang, Z.; Hsu, C. S. Energy Fuels 1998, 12, 637–643.CrossRefGoogle Scholar
  29. 29.
    Roussis, S. G.; Fedora, J. W. Proceedings of the 46th ASMS Conference on Mass Spectrometry and Allied Topics, Orlado, Florida, May 31 - June 4, 1998; 1078.Google Scholar
  30. 30.
    Dagan, S.; Amirav, A. J. Am. Soc. Mass Spectrom. 1995, 6, 120–131.CrossRefGoogle Scholar
  31. 31.
    Vuica, A.; Faubert, D.; Evans, M.; Bertrand, M. J. Proceedings of the 46th ASMS Conference on Mass Spectrometry and Allied Topics, Orlado, Florida, May 31 - June 4, 1998; 1498.Google Scholar
  32. 32.
    Stein, S. E. J. Am. Soc. Mass Spectrom. 1999, 10, 770–781.CrossRefGoogle Scholar
  33. 33.
    Roussis, S. G.; Fitzgerald, W. P. Energy Fuels 2001, 15, 477–486.CrossRefGoogle Scholar
  34. 34.
    Robinson, C. J.; Cook, G. L. Anal. Chem. 1969, 41, 1549–1554.CrossRefGoogle Scholar
  35. 35.
    Stafford, C; Morgan, T. D.; Brunfeldt, R. J. Int. J. Mass Spectrom. Ion Phys. 1968, 1, 87–92.CrossRefGoogle Scholar
  36. 36.
    Roussis, S. G.; Cameron, A. S. Energy Fuels 1997, 11, 879–886.CrossRefGoogle Scholar
  37. 37.
    Johnson, B. H.; Aczel, T. Anal. Chem. 1967, 39, 682–685.CrossRefGoogle Scholar
  38. 38.
    Aczel, T.; Allan, D. E.; Harding, J. H.; Knipp, E. A. Anal. Chem. 1970, 341–347.CrossRefGoogle Scholar
  39. 39.
    Allgood, C; Ma, Y. C; Munson, B. Anal. Chem. 1991, 63, 721–725.CrossRefGoogle Scholar
  40. 40.
    Hsu, C. S.; Qian, K.; Anal. Chem. 1993, 65, 767–771.CrossRefGoogle Scholar
  41. 41.
    Roussis, S. G.; Fitzgerald, W. P.; Cameron, A. S. Rapid Commun. Mass Spectrom. 1998, 12, 373–381.CrossRefGoogle Scholar
  42. 42.
    Roussis, S. G. Rapid Commun. Mass Spectrom. 1999, 13, 1031–1051.CrossRefGoogle Scholar
  43. 43.
    Kendrick, E. Anal. Chem. 1963, 35, 2146–2154.CrossRefGoogle Scholar
  44. 44.
    Hsu, C. S.; Qian, K.; Chen, Y. C. Anal Chim. Acta 1992, 264, 79–89.CrossRefGoogle Scholar
  45. 45.
    Guan, S.; Marshall, Scheppele, Anal. Chem. 1996, 68, 46–71. Rodgers, R. P.; White, F. M.; Hendrickson, C. L.; Marshall, A. G.; Andersen, K. V. Anal. Chem. 1998, 70, 4743–4750.Google Scholar
  46. 46.
    Hsu, C. S.; Liang, Z.; Campana, J. E. Anal. Chem. 1994, 66, 850–855.CrossRefGoogle Scholar
  47. 47.
    Qian, K.; Robbins, W. K.; Hughey, C. A.; Cooper, H. J.; Rodgers, R. P.; Marshall, A. G. Energy Fuels 2001, 15, 1505–1511.CrossRefGoogle Scholar
  48. 48.
    Qian, K.; Rodgers, R. P.; Hendrickson, C. L.; Emmett, M. R.; Marshall, A. G. Energy Fuels 2001, 15, 492–498.CrossRefGoogle Scholar
  49. 49.
    Roussis, S. G.; Fedora, J. W. Anal. Chem. 1997, 69, 1550–1556.CrossRefGoogle Scholar
  50. 50.
    Snyder, L. R. Anal. Chem. 1961, 33, 1538–1543.CrossRefGoogle Scholar
  51. 51.
    Analysis of Heavy Oils: Method Development and Application to Cerro Negro Heavy Petroleum-, NIPER-452, U.S. Department of Energy: Bartleville, Oklahoma, 1989.Google Scholar
  52. 52.
    George, G. NL; Gorbaty, M. L. J. Am. Chem. Soc. 1989, 111, 3182–3186.CrossRefGoogle Scholar
  53. 53.
    Dzidic, I.; Balicki, M. D.; Rhodes, I. A. L.; Hart, H. V. J. Chromatogr. Sci. 1988, 26, 236–240.CrossRefGoogle Scholar
  54. 54.
    Tibbetts, P. J. C; Large, R. in Petrolanal. ’87: Dev. Anal. Chem. Pet. Ind., 45–57, Crump, J. B., Ed.; Wiley: Chichester, UK, 1988.Google Scholar
  55. 55.
    Gallegos, E. J. Anal. Chem. 1975, 47, 1150–1154.CrossRefGoogle Scholar
  56. 56.
    Roussis, S. G.; Fedora, J. W.; Cameron, A. S. U.S. Patent 5, 744, 702 1998.Google Scholar
  57. 57.
    Rudzinski, W. E.; Aminabhavi, T. M.; Tarbox, T.; Sassman, S.; Whitney, K.; Watkins, L. Prepr.-Am. Chem. Soc, Div. Pet. Chem. 2000, 45, 60–63.Google Scholar
  58. 58.
    Seifert, W. K.; Teetter, R. M. Anal. Chem. 1970, 42, 180–189. Seifert, W. K.; Teeter, R. M. Anal. Chem. 1970, 42, 750–758.Google Scholar
  59. 59.
    Dzidic, I.; Somerville, A. C; Raia, J. C; Hart, H. V. Anal. Chem. 1988, 1318–1323.Google Scholar
  60. 60.
    Fan, T. -P. Anal. Chem. 1991, 65, 371–375.Google Scholar
  61. 61.
    Hsu, C. S.; Dechert, G. J.; Robbins, W. K.; Fukuda, E. K. Energy Fuels 2000, 14, 217–223.CrossRefGoogle Scholar
  62. 62.
    Roussis, S. G.; Fedora, J. W. Proceedings of the 47th ASMS Conference on Mass Spectrometry and Allied Topics, Dallas, TX, June 13–17, 1999, MPG 158.Google Scholar
  63. 63.
    Scherzer, J.; Gruia, A. J. Hydrocracking Science and Technology; Marcel Dekker: New York, Chapter 8, 1996.Google Scholar
  64. 64.
    Dorbon, M.; Bigeard, P. H.; Denis, J.; Bernasconi, C. Fuel Sci. Technol. Int. 1992, 10, 1313–1341.CrossRefGoogle Scholar
  65. 65.
    Later, D. W.; Milton, L. L.; Bartle, K. D.; Kong, R. C; Vassilaros, D. L, Anal Chem. 1981, 53, 1612–1620.CrossRefGoogle Scholar
  66. 66.
    Dzidic, I.; Balicki, M. D.; Hart, H. V. Fuel 1988, 67, 1155–1158.CrossRefGoogle Scholar
  67. 67.
    Creaser, C. S.; Krokos, F.; O’Neill, K. E.; Smith, M. J. C; McDowell, P. G. J. Am. Soc. Mass Spectrom. 1993, 4, 322–326.CrossRefGoogle Scholar
  68. 68.
    Hsu, C. S.; Qian, K.; Robbins, W. K. J. High Resol. Chromatogr. 1994, 17, 271–276.CrossRefGoogle Scholar
  69. 69.
    Veloski, G. A.; Lynn, R. J.; Sprecher, R. F. Energy Fuels 1997, 11, 137–143.CrossRefGoogle Scholar
  70. 70.
    Hughey, C. A.; Hendrickson, C. L.; Rodgers, R. P.; Marschall, A. G. Energy Fuels 2001, 15, 1186–1193.CrossRefGoogle Scholar
  71. 71.
    Lyon, P. A.; Stebbings, W. L.; Crow, F. W.; Tomer, K. B.; Lippstreu, D. L.; Gross, M. L. Anal. Chem. 1984, 56, 8–13.CrossRefGoogle Scholar
  72. 72.
    Freas, R. B.; Campana, J. E. Anal. Chem. 1986, 58, 2434–2438.CrossRefGoogle Scholar
  73. 73.
    Hodson, J.; Pidduck, A. J. Report (1985), MQAD-TP-905, BR98163; Order No. N86–28708/3/GAR. From: Gov. Rep. Announce. Index (U.S.) 1986, 86, Abstr. No. 650,648.Google Scholar
  74. 74.
    Gough, M. A.; Langley, G. J. Rapid Commun. Mass Spectrom. 1999, 13, 227–236.CrossRefGoogle Scholar
  75. 75.
    Grigson, S. J. W.; Wlkinson, A.; Johnson, P.; Moffat, C. F.; Mcintosh, A. D. Rapid. Commun. Mass Spectrom. 2000, 14, 2210–2219.CrossRefGoogle Scholar
  76. 76.
    Roussis, S. G.; Fedora, J. W. Proceedings of the 48th ASMS Conference on Mass Spectrometry and Allied Topics, Long Beach, California, June 11–15, 2000, WOB pm03:40.Google Scholar
  77. 77.
    Roussis, S. G. Anal. Chem. 2001, 73, 3611–3623.CrossRefGoogle Scholar
  78. 78.
    Prokai, L. Field Desorption Mass Spectrometry; Marcel Dekker, Inc.: New York, 1990.Google Scholar
  79. 79.
    Larsen, B. S.; Fenselau, C. C; Whitehurst, D. D.; Angelini, M. M. Anal. Chem. 1986, 58, 1088–1091.CrossRefGoogle Scholar
  80. 80.
    Aczel, T.; Dennis, L. W.; Reynolds, S. D. Proceedings of the 35th ASMS Conference on Mass Spectrometry and Allied Topics, Denver, CO, May 24–29, 1987; pp 1066–1067.Google Scholar
  81. 81.
    Seki, H.; Kumata, F. Energy Fuels 2000, 14, 980–985.CrossRefGoogle Scholar
  82. 82.
    Suelves, I.; Islas, C. A.; Herod, A. A.; Candiyoti, R. Energy Fuels 2001, 15, 429–437.CrossRefGoogle Scholar
  83. 83.
    Roussis, S. G.; Proulx, R. Anal. Chem. 2002, 74, 1408–1414.CrossRefGoogle Scholar
  84. 84.
    Kahr, M. S.; Wilkins, C. L. J. Am. Soc. Mass Spectrom. 1993, 4, 453–460.CrossRefGoogle Scholar
  85. 85.
    Dean, P. A.; O’Malley, R. M. Rapid Commun. Mass Spectrom. 1993, 7, 53–57.CrossRefGoogle Scholar
  86. 86.
    Keki, S. Deak, G.; Zuga, M. Rapid Commun. Mass Spectrom. 2001, 15, 675–678.CrossRefGoogle Scholar
  87. 87.
    Chen, R.; Yalcin, T.; Wallace, W. E.; Guttman, C. M.; Li, L. J. Am. Soc. Mass Spectrom. 2001, 12, 1186–1192.CrossRefGoogle Scholar
  88. 88.
    Hummel, D. O.; Dussel, H.-J.; Czybulka, G.; Wenzel, N.; Holl, G. Spectrochimica Acta, 1985, 41A, 279–290.Google Scholar
  89. 89.
    Blazso, M. Rapid Commun. Mass Spectrom. 1991, 5, 507–511.CrossRefGoogle Scholar
  90. 90.
    Mundy, S. A. J. J. Anal. Appl. Pyrolysis 1993, 25, 317–324.CrossRefGoogle Scholar
  91. 91.
    Matheson, M. J.; Wampler, T. P.; Johnson, L.; Atherly, L.; Smucker, L. Amer. Lab. May 1997, 29, 24C-24F.Google Scholar
  92. 92.
    Roussis, S. G.; Fedora, J. W. Rapid Commun. Mass Spectrom. 1996, 10, 82–90.CrossRefGoogle Scholar
  93. 93.
    Robb, D. B.; Covey, T. R.; Bruins, A. P. Anal. Chem. 2000, 72, 3653–3659.CrossRefGoogle Scholar
  94. 94.
    Cappiello, A.; Balogh, M.; Famiglini, G.; Mangani, F.; Palma, P. Anal. Chem. 2000, 72, 3841–3846.CrossRefGoogle Scholar
  95. 95.
    Hsu, C. S.; Green, M. Rapid Commun. Mass Spectrom. 2001, 15, 236–239.CrossRefGoogle Scholar

Copyright information

© Springer Science+Business Media New York 2003

Authors and Affiliations

  • S. G. Roussis
    • 1
  • J. W. Fedora
    • 1
  • W. P. Fitzgerald
    • 1
  • A. S. Cameron
    • 1
  • R. Proulx
    • 1
  1. 1.Research Department, Products and Chemicals DivisionImperial OilSarniaCanada

Personalised recommendations