Average molecular parameters of heavy crude oils and their fractions using NMR spectroscopy

Poveda, Juan Carlos; Molina, Daniel

doi:10.1016/j.petrol.2012.01.005

Cited by 87 publications

(117 citation statements)

References 22 publications

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“…Correction factors to account for these inherent errors while assigning the chemical shifts have been introduced by some workers. 52 The range of the chemical shifts used for different structure groups and their corresponding percentage obtained after integrating the baseline corrected spectrum of 1 H NMR and 13 C NMR are reported in Table S1 and Table S2, respectively using [47][48][49][50][51] , while the percentages of these structure groups deduced from 1 H NMR and 13 C NMR are presented in Fig. 6.…”

Section: Ft-icr Ms Resultsmentioning

confidence: 99%

TG/DTG, FT-ICR Mass Spectrometry, and NMR Spectroscopy Study of Heavy Fuel Oil

Elbaz

Gani²,

Hourani³

et al. 2015

Energy Fuels

104

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ABSTRACT:There is an increasing interest in comprehensive study of heavy fuel oil (HFO) due to its growing use in furnaces, boilers, marines, and recently in gas turbines. In this work, the thermal combustion characteristics and chemical composition of HFO were investigated using a range of techniques. Thermogravimetric analysis (TGA) was conducted to study the non-isothermal HFO combustion behavior. Chemical characterization of HFO was accomplished using various standard methods in addition to direct infusion atmospheric pressure chemical ionization Fourier transform ion cyclotron resonance mass spectrometry (APCI-FTICR MS), high resolution 1 H nuclear magnetic resonance (NMR), 13 C NMR, and two dimensional hetero-nuclear multiple bond correlation (HMBC) spectroscopy. By analyzing thermogravimetry and differential thermogravimetry (TG/DTG) results, three different reaction regions were identified in the combustion of HFO with air, specifically, low temperature oxidation region (LTO), fuel deposition (FD) and high temperature oxidation (HTO) region. At the high end of the LTO region, a mass transfer resistance (skin effect) was evident. Kinetic analysis in LTO and HT|O regions was conducted using two different kinetic models to calculate the apparent activation energy. In both models, HTO activation energies are higher than those for LTO. The FT-ICR MS technique resolved thousands of aromatic and sulfur containing compounds in the HFO sample and provided compositional details for individual molecules of three major class species. The major classes of compounds included species with one sulfur atom (S 1 ), with two sulfur atoms 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 2 (S 2 ), and purely hydrocarbons (HC). The DBE (double bond equivalent) abundance plots established for S 1 and HC provided additional information on their distributions in the HFO sample. The 1 H NMR and 13 C NMR results revealed that nearly 59% of the 1 H nuclei were distributed as paraffinic CH 2 and 5% were in aromatic groups. Nearly 21% of 13 C nuclei were distributed in aromatic groups indicating that most paraffinic CH 2 groups are attached to aromatic rings. A negligible amount of olefins was present and an appreciable quantity of monoaromatic and poly-aromatic content were observed. Molecular connectivity between the hydrogen and carbon atoms using HMBC spectra was utilized to propose several plausible skeletal structures in HFO.

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Section: Ft-icr Ms Resultsmentioning

confidence: 99%

TG/DTG, FT-ICR Mass Spectrometry, and NMR Spectroscopy Study of Heavy Fuel Oil

Elbaz

Gani²,

Hourani³

et al. 2015

Energy Fuels

104

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“…NMR spectroscopic technique has long been used for both qualitative (Gillet et al 1980;Kvalheim et al 1985) and quantitative (Srivastava 1982;Allen 1985;Abu-Dagga and Ruegger 1988;Smirnov et al 1992;Sarpal et al 1998;Bansal et al 2007;Bansal et al 2014;Mirotchnik et al 2001;Young and Galya 1984;Poveda and Molina 2012) studies of petroleum products. The main focus of these studies revolve around understanding the qualitative composition and to quantify average structural parameters such as aromatic and aliphatic content, average chain length for aliphatic moieties, and average number of substituents on the aromatic ring.…”

Section: Introductionmentioning

confidence: 99%

A 1H NMR method for the estimation of hydrogen content for all petroleum products

et al. 2015

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Background: Hydrogen content is an important parameter for all petroleum products, because the performance of the products for specific application depends on the concentration of hydrogen in it. Further, hydrogen content can be used as a measure for quality control during the production process and assess the quality of the products, which is governed by the catalyst used. Therefore, to get the desired petroleum products like MS and HSD, pilot scale evaluation of different catalysts plays an important role in problem solving during troubleshooting in refineries. During evaluation studies the performance of catalyst depends upon the hydrogen consumption and mass balance in any catalytic process. In order to calculate total hydrogen consumption during production of different petroleum products an effort has been made to develop a universal method based on nuclear magnetic resonance (NMR) technique, that allows estimating hydrogen content in all petroleum fractions, ranging from IBP to 530+°C.

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“…3;2015 299 obtained mainly due to fractions which boil out at temperatures above 400 °С (66.46% mass). Fraction 350-500 о С is the main raw material for catalytic cracking and when processing the natural bitumen at a catalytic cracking plant it could be possible to process larger amounts of this fraction (Telyashev, 2008;Poveda & Molina, 2012;Mustafaev et al, 2013). …”

Section: Natural Bitumen Characteristicsmentioning

confidence: 99%

Study of Natural Bitumen of Nagornoye Deposit, Troitskneft JSC (the Republic of Tatarstan, Russian Federation) aimed at Processing Options Determination

Кемалов¹,

Kemalov²,

Abdrafikova³

et al. 2014

ASS

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The cost of natural bitumen production at present is very high and 3-5 times exceeds the cost of conventional oils production; the technology developers are facing the challenge of developing processes which allow producing high sale price products at a low cost. The present study was aimed at finding out the composition and properties of natural bitumen from Nagornoye deposit of the Republic of Tatarstan (JSC Troitskneft) to determine the possible ways for its processing as well as to definite the processing options. A conclusion made, that the production of residual bitumen of the high-viscosity oils and natural bitumen of Tatarstan Republic (as well as any other region having raw materials with similar composition) will contribute to increase in their production volume and quality by means of compounding of residual and air-blown bitumen, as in this particular case their advantages are combined. In addition, this will contribute to solution of the problem related to introduction of water-bitumen emulsions and bitumen-polymer binders into the road construction of Tatarstan Republic. The use of natural bitumen for production of various commercial bitumen marks and various bitumen products, makes its recovery economically feasible as its conventional recovery and transportation is noncompetitive against conventional oils. At the same time, profitability of a pure bitumen option can be increased by means of a bitumen-fuel option, provided that the diesel fraction is brought in full compliance with the GOST for S (summer), W (winter) and A (arctic) marks of diesel fuel.

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Average molecular parameters of heavy crude oils and their fractions using NMR spectroscopy

Cited by 87 publications

References 22 publications

TG/DTG, FT-ICR Mass Spectrometry, and NMR Spectroscopy Study of Heavy Fuel Oil

TG/DTG, FT-ICR Mass Spectrometry, and NMR Spectroscopy Study of Heavy Fuel Oil

A 1H NMR method for the estimation of hydrogen content for all petroleum products

Study of Natural Bitumen of Nagornoye Deposit, Troitskneft JSC (the Republic of Tatarstan, Russian Federation) aimed at Processing Options Determination

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