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2015/2
Possibility of ultrahigh resolution mass-spectrometry application to analyze petroleum hetero-atomic compounds
Chemical sciences

Authors: Anna V. STAVITSKAYA graduated from Gubkin Russian State University of Oil and Gas in 2011. She is postgraduate student at Gubkin Russian State University of Oil and Gas, Department of Organic Chemistry and Petroleum Chemistry. She has autho- red 3 scientific publications in the field of chemistry of oil disperse systems and methods of research. E-mail: stavitsko@mail.ru
Ravilya Z. SAFIEVA graduated from Lomonosov Moscow State University in 1978. She is Doctor of Science (Technology) and chief researcher of the Department of Organic Chemistry and Petroleum Chemistry of Gubkin Russian State University of Oil and Gas. She has authored 125 scientific publications in the field of physical chemistry of the oil disperse systems and methods of research. E-mail: safieva@mail.ru

Abstract: 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 classes of hetero-atomic compounds with CcHhNnOoSs composition were discovered, including carboxylic acid, pyridine bases, pyrrole-type compounds, compounds with one and two sulfur atoms in the molecule, as well as hybrid compound (SO, NS, O2S2, 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 resinasphaltene 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

Index UDK: УДК 54.07

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

Bibliography:
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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.
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2014/2
Near-infrared spectroscopy for monitoring quality of commodity and raw material flows of gasoline blending station
Oil and gas processing, chemistry of oil and gas

Authors: Ravilya Z. SAFIEVA graduated from Lomonosov Moscow State University in 1978. She is Doctor of Technical Sciences, Full Professor of the Department of Organic Chemistry and Petroleum Chemistry of Gubkin Russian State University of Oil and Gas. She is a specialist in the field of physical chemistry of oil disperse systems and methods of research. She is author of over 100 scientific publications. E-mail: safieva@gubkin.ru
Irina V. IVANOVA graduated from Kazan State University named after VI Ulyanov-Lenin in 2006. She is postgraduate student of the Department of Organic Chemistry and Petroleum Chemistry at Gubkin Russian State University of Oil and Gas. She is a specialist in the field of molecular spectroscopy. E-mail: irina20051984@rambler.ru

Abstract: Near-infrared spectroscopy (NIR) is becoming an effective and popular analytical technique in the petrochemical and refining industries, mainly because of the reliability and convenience for routine use. In this paper we have accumulated and systematized a large amount of spectral data obtained for the raw materials and commodity flows of gasoline blending station using near-infrared spectrometer with Fourier transform (FT-NIR) in ON-LINE mode. A correlation between the spectral data and the quality parameters, namely, octane numbers using research and motor methods, density, content: aromatic hydrocarbons, benzol and olefinic hydrocarbons; fractional composition, saturated vapors pressure. We have constructed and validated calibration models for these parameters and proposed these for use in real-time. The prediction error of the obtained gauge model lies within the reproducibility of the standard methods for each parameter

Index UDK: УДК 665.773.3

Keywords: infrared spectrometer with Fourier transform, spectroscopy of near-in-frared (NIR) range, commodity flows, commercial gasoline, gauge model, independent verification of models

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