Scientific and technical journal

«Proceedings of Gubkin University»

ISSN 2073-9028

Proceedings of Gubkin University
POSSIBILITY OF ULTRAHIGH RESOLUTION MASS-SPECTROMETRY APPLICATION TO ANALYZE PETROLEUM HETERO-ATOMIC COMPOUNDS

UDC: 54.07
DOI: -

Authors:

Stavitskaya Anna V.1,
Safieva Ravilya Z.1

1 Gubkin Russian State University of Oil and Gas

Keywords: ion cyclotron resonance mass spectrometry, petroleum hetero-atomic compounds, resolution, ionization techniques

Annotation:

The paper describes the possibility of ultra-high resolution ion-cyclotron resonance mass spectrometry (FT-ICR-MS) application in conjunction with the «soft» ionization techniques for molecular level characterization of petroleum hetero-atomic compounds. Two petroleum samples were analyzed and 19 clas-ses of hetero-atomic compounds with CcHhNnOoSs composition were discove-red, including carboxylic acid, pyridine bases, pyrrole-type compounds, compo-unds with one and two sulfur atoms in the molecule, as well as hybrid compound (SO, NS, O 2S 2, ONS and others). Different ionization techniques such as electrospray (ESI) and atmospheric pressure photoionization (APPI) allow us to study the composition of petroleum high molecular compounds while the high sensitivity of the method enables to simultaneously identify thousands of compounds in minimum volume of petroleum (1-2 mkl). The uniqueness of the method is the ability to analyze the heavy part of petroleum (including resin-asphaltene substances). The ultra-high resolution, sensitivity and accuracy of the method combined with simplicity of use make the method an excellent tool for petrochemical analysis.

Bibliography:

1. Нефтяные кислоты и их производные. Получение и применение/Л.В. Иванова, В.Н. Кошелев, Н.А. Сокова, Е.А. Буров, О.В. Примерова//Труды Российского государственного университета нефти и газа имени И.М. Губкина. - 2013. - T. 270. - № 1. - С. 68-80.
2. Хаджиев С.Н., Шпирт М.Я. Микроэлементы в нефтях и продуктах их переработки. - М.: Наука, 2012.
3. Суб- и сверхкритичеcкие флюидные среды в некоторых задачах извлечения наполнителей из твердых матриц/Г.Ф. Мухамедович, Г.М. Ракибович, Б.Т. Ренатович, Г.Р. Фаилович, С.А. Адиевич//Вести Газовой Науки. - 2010. - Т. 11. - № 3.
4. Состав и свойства природных высокомолекулярных компонентов газоконденсатных и нефтегазоконденсатных месторождений/А.Н. Дмитриевский, Н.А. Скибицкая, Л.А. Зекель, О.К. Навроцкий, Н.В. Краснобаева, Е.Г. Доманова/ Химия твердого топлива. - 2010. - № 3. - С. 67-77.
5. Gaspar A., Zellermann E., Lababidi S., Reece J., Schrader W. Characterization of Saturates, Aromatics, Resins, and Asphaltenes Heavy Crude Oil Fractions by Atmospheric Pressure Laser Ionization Fourier Transform Ion Cyclotron Resonance Mass Spectrometry//Energy Fuels. - 2012. - No. 26. - P. 3481-3487.
6. Zhao X., Shi Q., Gray M.R., Xu C. New Vanadium Compounds in Venezuela Heavy Crude Oil Detected by Positive-ion Electrospray Ionization Fourier Transform Ion Cyclotron Resonance Mass Spectrometry//Sci. Rep. - 2014. - Vol. 4.
7. Zhang L., Zhang Y., Zhao S., Xu C., Chung K.H., Shi Q. Characterization of heavy petroleum fraction by positive-ion electrospray ionization FT-ICR mass spectrometry and collision induced dissociation: Bond dissociation behavior and aromatic ring architecture of basic nitrogen compounds//Sci. China Chem. - 2013. - Vol. 56. - No. 7. - P. 874-882.
8. Tanner R.P.R., Schaub M. Speciation of Aromatic Compounds in Petroleum Refinery Streams by Continuous Flow Field Desorption Ionization FT-ICR Mass Spectrometry//Energy Amp Fuels - ENERG FUEL. - 2005. - Vol. 19. - No. 4.
9. Klein G.C., Rodgers R.P., Marshall A.G. Identification of hydrotreatment-resistant heteroatomic species in a crude oil distillation cut by electrospray ionization FT-ICR mass spectrometry// Fuel. - 2006. - Vol. 85. - No. 14-15. - Р. 2071-2080.
10. Qian K., Edwards K.E., Dechert G.J., Jaffe S.B., Green L.A., Olmstead W.N. Measurement of Total Acid Number (TAN) and TAN Boiling Point Distribution in Petroleum Products by Electrospray Ionization Mass Spectrometry//Anal. Chem. - 2008. - Vol. 80. - No. 3. - P. 849-85.
11. Marshall A.G., Rodgers R.P. Petroleomics: chemistry of the underworld//Proc. Natl. Acad. Sci. U.S.A. - 2008. - Vol. 105. - No. 47. - P. 18090-18095.
12. A barrel load of compounds//Chemistry World. - 2010, May. - P. 46-49.
13. De Hoffmann E., Stroobant V. Mass Spectrometry: Principles and Applications. - John Wiley & Sons, 2007.
14. Quan Shi D.H. Characterization of Heteroatom Compounds in a Crude Oil and Its Saturates, Aromatics, Resins, and Asphaltenes (SARA) and Non-basic Nitrogen Fractions Analyzed by Negative-Ion Electrospray Ionization Fourier Transform Ion Cyclotron Resonance Mass Spectrometry//Energy Amp Fuels. - 2010. - Vol. 24. - P. 2545-2553.
15. Kim S., Rodgers R.P., Blakney G.T., Hendrickson C.L., Marshall A.G. Automated Electrospray Ionization FT-ICR Mass Spectrometry for Petroleum Analysis//J. Am. Soc. Mass Spectrom. - 2009. - Vol. 20. - No. 2. - P. 263-268.
16. Kim Y. H., Kim S. Improved abundance sensitivity of molecular ions in positive-ion APCI MS analysis of petroleum in toluene//J. Am. Soc. Mass Spectrom. - 2010. - Vol. 21. - No. 3. - P. 386-39.
17. Fernandez-Lima F.A., Becker C., McKenna A.M., Rodgers R.P., Marshall A.G., Russell D.H. Petroleum Crude Oil Characterization by IMS-MS and FTICR MS//Anal. Chem. - 2009. - Vol. 81. - No. 24. - P. 9941-9947.
18. Panda S.K., Brockmann K.J., Benter T., Schrader W. Atmospheric pressure laser ionization (APLI) coupled with Fourier transform ion cyclotron resonance mass spectrometry applied to petroleum samples analysis: comparison with electrospray ionization and atmospheric pressure photoionization methods//Rapid Commun. Mass Spectrom. - 2011. - No. 25. - P. 2317-2326.
19. Esther Lorente C.B. The detection of high-mass aliphatics in petroleum by matrix-assisted laser desorption/ionisation mass spectrometry//Rapid Commun. Mass Spectrom. RCM. - 2012. - Vol. 26. - No. 14. - P. 1581-90.
20. Speight J.G. High Acid Crudes. - Gulf Professional Publishing, 2014.
21. Li X., Zhu J., Wu B. Characterization of Basic Nitrogen-Containing Compounds in the Products of Lube Base Oil Processing by Electrospray Ionization Fourier Transform Ion Cyclotron Resonance Mass Spectrometry//Bull. Korean Chem. Soc. - 2014. - Vol. 35. - No. 1. - P. 165-172.
22. Marshall A.G., Rodgers R.P. Petroleomics: The Next Grand Challenge for Chemical Analysis//Acc. Chem. Res. - 2003. - Vol. 37. - No. 1. - P. 53-59.
23. Yunju Cho A.A. Developments in FT-ICR MS Instrumentation, Ionization Techniques, and Data Interpretation Methods for Petroleomics - a Review//Mass Spectrom. Rev. - 2014. - Vol. in press.
24. Wang L., He C., Zhang Y., Zhao S., Chung K.H., Xu C., Hsu C.S., Shi Q. Characterization of Acidic Compounds in Heavy Petroleum Resid by Fractionation and Negative-Ion Electrospray Ionization Fourier Transform Ion Cyclotron Resonance Mass Spectrometry Analysis//Energy Fuels. - 2013. - Vol. 27. - No. 8. - P. 4555-4563.
25. Kuangnan Qian W.K.R. Resolution and Identification of Elemental Compositions for More than 3000 Crude Acids in Heavy Petroleum by Negative-Ion Microelectrospray High-Field Fourier Transform Ion Cyclotron Resonance Mass Spectrometry//Energy Amp Fuels - ENERG FUEL. - 2001. - Vol. 15. - No. 6.
26. Yingrong L., Wei W., Qiuling H., Yuxia Z., Jinghui D., Songbai T. Characterization of Basic Nitrogen Aromatic Species Obtained during Fluid Catalytic Cracking by Fourier Transform Ion Cyclotron Resonance Mass Spectrometry//Scientific Research. - 2012. - Vol. 14. - No. 2. - P. 18-24.
27. Liu P., Xu C., Shi Q., Pan N., Zhang Y., Zhao S., Chung K.H. Characterization of Sulfide Compounds in Petroleum: Selective Oxidation Followed by Positive-Ion Electrospray Fourier Transform Ion Cyclotron Resonance Mass Spectrometry//Anal. Chem. - 2010. - Vol. 82. - No. 15. - P. 6601-6606.