Pair your accounts.

Export articles to Mendeley

Get article recommendations from ACS based on references in your Mendeley library.

Pair your accounts.

Export articles to Mendeley

Get article recommendations from ACS based on references in your Mendeley library.

You’ve supercharged your research process with ACS and Mendeley!

STEP 1:
Click to create an ACS ID

Please note: If you switch to a different device, you may be asked to login again with only your ACS ID.

Please note: If you switch to a different device, you may be asked to login again with only your ACS ID.

Please note: If you switch to a different device, you may be asked to login again with only your ACS ID.

MENDELEY PAIRING EXPIRED
Your Mendeley pairing has expired. Please reconnect
ACS Publications. Most Trusted. Most Cited. Most Read
My Activity
CONTENT TYPES

Compositional Study of Polar Species in Untreated and Hydrotreated Gas Oil Samples by Electrospray Ionization Fourier Transform Ion Cyclotron Resonance Mass Spectrometry (ESI FTICR−MS)

View Author Information
Department of Chemistry, University of Joensuu, Post Office Box 111, 80101 Joensuu, Finland
Technology Centre, Neste Oil Oyj, Post Office Box 310, 06101 Porvoo, Finland
*To whom correspondence should be addressed. E-mail: [email protected]
Cite this: Energy Fuels 2009, 23, 12, 6055–6061
Publication Date (Web):October 7, 2009
https://doi.org/10.1021/ef9007592
Copyright © 2009 American Chemical Society

    Article Views

    465

    Altmetric

    -

    Citations

    LEARN ABOUT THESE METRICS
    Other access options

    Abstract

    Two gas oil samples, untreated feed and hydrotreated product oil, were analyzed. Both basic and acidic polar species were detected by electrospray ionization (ESI) Fourier transform ion cyclotron resonance mass spectrometry, and the detected species were characterized on the basis of their elemental compositions. Samples were real refinery samples, with one sample being a certain distillation fraction of crude oil (feed) and the other sample being a hydrotreated feed oil (product). Comparison of the compositions of untreated and hydrotreated oil provides insight into (1) compounds that are resistant to processing, (2) compounds that are removed/degraded by processing, and (3) new compounds that are produced during processing. N1 class compounds were found to be the most abundant basic species in both oil samples. In addition, the proportion of N1 class compounds was clearly greater in the product oil than in the feed oil, which indicates that these basic species must be resistant to removal by hydrotreatment. All basic NxOy-, NxSz-, and NxOySz-containing compounds that were detected in the feed oil were completely removed by hydrotreatment. However, some of the OySz compounds remained in the oil after hydrotreatment. Negative-ion ESI revealed that the majority of the acidic polar species in the product sample were N1 compounds, which was also the predominant class in the feed sample. The second most abundant species were the Oy-containing compounds. All of the O1 compounds that were detected in the feed oil were degraded during the hydrotreatment process, as were the O2 compounds with double-bond equivalent (DBE) values >4. Acidic NxOy-, NxSz-, OySz-, and NxOySz-containing compounds were not completely removed by the processing, but the relative abundances of these species were no longer significant in the product oil.

    Read this article

    To access this article, please review the available access options below.

    Get instant access

    Purchase Access

    Read this article for 48 hours. Check out below using your ACS ID or as a guest.

    Recommended

    Access through Your Institution

    You may have access to this article through your institution.

    Your institution does not have access to this content. You can change your affiliated institution below.

    Cited By

    This article is cited by 19 publications.

    1. Quan Shi, Yahe Zhang, Keng H. Chung, Suoqi Zhao, Chunming Xu. Molecular Characterization of Fossil and Alternative Fuels Using Electrospray Ionization Fourier Transform Ion Cyclotron Resonance Mass Spectrometry: Recent Advances and Perspectives. Energy & Fuels 2021, 35 (22) , 18019-18055. https://doi.org/10.1021/acs.energyfuels.1c01671
    2. Idoia Hita, Tomás Cordero-Lanzac, Timo Kekäläinen, Ogechukwu Okafor, José Rodríguez-Mirasol, Tomás Cordero, Javier Bilbao, Janne Jänis, Pedro Castano. In-Depth Analysis of Raw Bio-Oil and Its Hydrodeoxygenated Products for a Comprehensive Catalyst Performance Evaluation. ACS Sustainable Chemistry & Engineering 2020, 8 (50) , 18433-18445. https://doi.org/10.1021/acssuschemeng.0c05533
    3. Minh-Tuan Nguyen, Gerhard D. Pirngruber, Fabien Chainet, Florian Albrieux, Mélaz Tayakout-Fayolle, Christophe Geantet. Molecular-Level Insights into Coker/Straight-Run Gas Oil Hydrodenitrogenation by Fourier Transform Ion Cyclotron Resonance Mass Spectrometry. Energy & Fuels 2019, 33 (4) , 3034-3046. https://doi.org/10.1021/acs.energyfuels.8b04432
    4. Carlos M. Celis-Cornejo, David J. Pérez-Martínez, Jorge A. Orrego-Ruiz, Víctor G. Baldovino-Medrano. Identification of Refractory Weakly Basic Nitrogen Compounds in a Deeply Hydrotreated Vacuum Gas Oil and Assessment of the Effect of Some Representative Species over the Performance of a Ni–MoS2/Y-Zeolite–Alumina Catalyst in Phenanthrene Hydrocracking. Energy & Fuels 2018, 32 (8) , 8715-8726. https://doi.org/10.1021/acs.energyfuels.8b02045
    5. Paolo Benigni, J. Daniel DeBord, Christopher J. Thompson, Piero Gardinali, and Francisco Fernandez-Lima . Increasing Polyaromatic Hydrocarbon (PAH) Molecular Coverage during Fossil Oil Analysis by Combining Gas Chromatography and Atmospheric-Pressure Laser Ionization Fourier Transform Ion Cyclotron Resonance Mass Spectrometry (FT-ICR MS). Energy & Fuels 2016, 30 (1) , 196-203. https://doi.org/10.1021/acs.energyfuels.5b02292
    6. Timo Kekäläinen, Jaana M. H. Pakarinen, Kim Wickström, Vladislav V. Lobodin, Amy M. McKenna, and Janne Jänis . Compositional Analysis of Oil Residues by Ultrahigh-Resolution Fourier Transform Ion Cyclotron Resonance Mass Spectrometry. Energy & Fuels 2013, 27 (4) , 2002-2009. https://doi.org/10.1021/ef301762v
    7. Roberto Olcese, Vincent Carré, Frédéric Aubriet, and Anthony Dufour . Selectivity of Bio-oils Catalytic Hydrotreatment Assessed by Petroleomic and GC*GC/MS-FID Analysis. Energy & Fuels 2013, 27 (4) , 2135-2145. https://doi.org/10.1021/ef302145g
    8. Nicole E. Oro and Charles A. Lucy . Analysis of the Nitrogen Content of Distillate Cut Gas Oils and Treated Heavy Gas Oils Using Normal Phase HPLC, Fraction Collection and Petroleomic FT-ICR MS Data. Energy & Fuels 2013, 27 (1) , 35-45. https://doi.org/10.1021/ef301116j
    9. Yahe Zhang, Chunming Xu, Quan Shi, Suoqi Zhao, Keng H. Chung, and Dujie Hou . Tracking Neutral Nitrogen Compounds in Subfractions of Crude Oil Obtained by Liquid Chromatography Separation Using Negative-Ion Electrospray Ionization Fourier Transform Ion Cyclotron Resonance Mass Spectrometry. Energy & Fuels 2010, 24 (12) , 6321-6326. https://doi.org/10.1021/ef1011512
    10. K.A. Nadeina, O.V. Potapenko, M.O. Kazakov, V.P. Doronin, A.V. Saiko, T.P. Sorokina, A.V. Kleimenov, O.V. Klimov, A.S. Noskov. Influence of hydrotreatment depth on product composition of fluid catalytic cracking process for light olefins production. Catalysis Today 2021, 378 , 2-9. https://doi.org/10.1016/j.cattod.2021.04.014
    11. Min-Hua Wang, Rui-Yu Wang, Xian-Yong Wei, Wei Zhao, Xing Fan. Molecular characteristics of the oxidation products of a lignite based on the big data obtained from Fourier transform ion cyclotron resonance mass spectrometry. Fuel 2021, 295 , 120644. https://doi.org/10.1016/j.fuel.2021.120644
    12. Clifford C. Walters, Meytal B. Higgins. Petroleomics. 2020, 311-337. https://doi.org/10.1007/978-3-319-90569-3_4
    13. Kevin Van Geem. Kinetic modeling of the pyrolysis chemistry of fossil and alternative feedstocks. 2019, 295-362. https://doi.org/10.1016/B978-0-444-64087-1.00006-1
    14. Yury Kostyukevich, Thamina Acter, Alexander Zherebker, Arif Ahmed, Sunghwan Kim, Eugene Nikolaev. Hydrogen/deuterium exchange in mass spectrometry. Mass Spectrometry Reviews 2018, 37 (6) , 811-853. https://doi.org/10.1002/mas.21565
    15. Clifford C. Walters, Meytal B. Higgins. Petroleomics. 2018, 1-28. https://doi.org/10.1007/978-3-319-54529-5_4-1
    16. Ya Lu, Jing Wu. The distribution of corrosive acidic compounds in petroleum fractions. Petroleum Science and Technology 2016, 34 (23) , 1880-1886. https://doi.org/10.1080/10916466.2016.1233250
    17. C M Celis-Cornejo, M M Garnica Mantilla, V G Baldovino-Medrano, G E Ramírez-Caballero. A quantum chemical study for exploring the inhibitory effect of nitrogen containing species on the adsorption of polynuclear aromatic hydrocarbons over a Bronsted acid site. Journal of Physics: Conference Series 2016, 743 , 012010. https://doi.org/10.1088/1742-6596/743/1/012010
    18. Nicole E. Oro, Randy M. Whittal, Charles A. Lucy. Sample handling and contamination encountered when coupling offline normal phase high performance liquid chromatography fraction collection of petroleum samples to Fourier transform ion cyclotron resonance mass spectrometry. Analytica Chimica Acta 2012, 741 , 70-77. https://doi.org/10.1016/j.aca.2012.06.047
    19. Thomas Dutriez, Marion Courtiade, Jeremie Ponthus, Didier Thiébaut, Hugues Dulot, Marie-Claire Hennion. Complementarity of Fourier Transform Ion Cyclotron Resonance Mass Spectrometry and high temperature comprehensive two-dimensional gas chromatography for the characterization of resin fractions from vacuum gas oils. Fuel 2012, 96 , 108-119. https://doi.org/10.1016/j.fuel.2011.11.070