Estimation of average structural parameters of petroleum crudes and coal-derived liquids by 13C and 1H n.m.r.

Gupta, Poonam; Dogra, P. V.; Kuchhal, R. K.; Kumar, Pradeep

doi:10.1016/0016-2361(86)90042-6

Cited by 45 publications

(11 citation statements)

References 11 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

103

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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

103

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“…The spectral assignment of these signals is the following: 105 2 -) and methyl group a to an aromatic ring.…”

Section: Nmr Spectroscopymentioning

confidence: 99%

Molecular Structure and Intermolecular Interaction of Asphaltenes by FT-IR, NMR, EPR

Scotti

Montanari

1998

Structures and Dynamics of Asphaltenes

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“…Calkins and Tyler [13] characterized the tars obtained from the flash pyrolysis of coal by using NMR, FT-IR and GC-MS techniques. Gupta et al [14] estimated the average structural parameters of petroleum crude and coalderived liquid by 13 C and 1 H NMR spectroscopy. Zhang et al [15] characterized the liquid products from the pyrolysis of Taiheiyo coal.…”

Section: Introductionmentioning

confidence: 99%