Detailed Chemical Composition of Straight-Run Vacuum Gas Oil and Its Distillates as a Function of the Atmospheric Equivalent Boiling Point

Wang, Wei; Liu, Yingrong; Liu, Zelong; Songbai, Tian

doi:10.1021/acs.energyfuels.5b02803

Cited by 9 publications

(11 citation statements)

References 42 publications

Supporting

Mentioning

Contrasting

Unclassified

Order By: Relevance

“…These studies reveal that the high compatibility of heavy fractions and upgraded biocrude in SRGO is attributed to their lower oxygen contents (low polarity) being similar to that of the SRGO structure. 36 This observation correlates well with the theoretical predictions of compatibility, made from Hansen double plots. Therefore, fractional distillation plays an important role in dividing biocrude oil into different chemical groups compatible with the fossil fuels to produce drop-in biofuels.…”

Section: Resultssupporting

confidence: 85%

“…Similar to the heavy distillate fractions, the low H/C (1.48 wt %) and O/C (0 wt %) ratios in the upgraded biocrude allows the extended aromaticity and lack of oxygen containing functional groups which indicate the complete expulsion of oxygen contents via hydrodeoxygenation. These studies reveal that the high compatibility of heavy fractions and upgraded biocrude in SRGO is attributed to their lower oxygen contents (low polarity) being similar to that of the SRGO structure . This observation correlates well with the theoretical predictions of compatibility, made from Hansen double plots.…”

Section: Resultssupporting

confidence: 85%

See 1 more Smart Citation

Detailed Investigation of Compatibility of Hydrothermal Liquefaction Derived Biocrude Oil with Fossil Fuel for Corefining to Drop-in Biofuels through Structural and Compositional Analysis

Sharma

Pedersen

Toor

et al. 2020

ACS Sustainable Chem. Eng.

View full text Add to dashboard Cite

Large-scale commercialization of drop-in biofuel technologies requires a deeper understanding of the molecular structure of biocrude oils and their compatibility with fossil crudes in terms of molecular interactions that govern miscibility. For the first time, the compatibility of hydrothermal liquefaction (HTL) derived biocrude obtained from pinewood with straight-run gas oil (SRGO) was comprehensively investigated by theoretical prediction using Hansen double sphere plots and experimental confirmation from miscibility studies to achieve a biofeed compatible for coprocessing at refineries. The Hansen solubility parameters (HSPs) for biocrude, biocrude components (residue and light and heavy distillate fractions), and SRGO were determined by plotting a three-dimensional Hansen solubility sphere plot based on the experimental solubility data obtained on their solubility studies in 38 different solvents. The compatibility of HTL biocrude oil with SRGO was verified from the solubility distance (R a ) and relative energy difference (RED) values obtained from the center of their Hansen spheres and difference in HSPs, respectively, in a Hansen double sphere solubility plot. The experimental data obtained on miscibility studies confirmed that pyridine, cyclohexanone, and a pyridine−cyclohexanone solvent mixture (1:1) occupy a well-defined Hansen space and show fitting to HSPs of the biocrude−SRGO blend, improve the overall compatibility of the blending mixture, and display a maximum miscibility of 72%. To correlate the compatibility with the molecular structure, the compatibility of light, heavy, and residual fractions obtained by fractional distillation of HTL biocrude (pinewood) was also evaluated with SRGO using the Hansen double sphere plot, and a close agreement with differential scanning calorimetry (DSC) results as well as the experimental data on miscibility studies was verified. Furthermore, the comprehensive estimation of the detailed composition and chemical nature of biocrude and light, heavy, and residual fractions by the means of elemental (CHN/O), GC-MS, and GC × GC analysis was also presented. Additionally, the correlation between compatibility and interactions within chemical functionalities of blend components was established by analyzing the contribution of aromatic, aliphatic, and oxygen containing functional groups to the miscibility using quantitative 13C NMR spectroscopy. The present study reports a mixing strategy to assess the compatibility of biocrudes, heavy distillate fractions, asphaltenes, residues, and polymers with existing petroleum infrastructure for the cost-effective biorefinery process to balance economic and environmental considerations.

show abstract

Section: Resultssupporting

confidence: 85%

Section: Resultssupporting

confidence: 85%

Detailed Investigation of Compatibility of Hydrothermal Liquefaction Derived Biocrude Oil with Fossil Fuel for Corefining to Drop-in Biofuels through Structural and Compositional Analysis

Sharma

Pedersen

Toor

et al. 2020

ACS Sustainable Chem. Eng.

View full text Add to dashboard Cite

show abstract

“…For [S + Ag] + ions, S1 and S2 class compounds were observed. The identification of individual disulfur species in crude oil was also previously reported. ,− All the AR samples were rich in S 1 class compounds due to their higher abundance compared to that of the S 2 class compounds. For the sets of high-sulfur AR (AR1 and AR2), the absolute abundance of [HC + Ag] + increased, and [S 1 + Ag] + and [S 2 + Ag] + decreased significantly after HDT.…”

Section: Results and Discussionsupporting

confidence: 62%

Application of Laser-Desorption Silver-Ionization Ultrahigh-Resolution Mass Spectrometry for Analysis of Petroleum Samples Subjected to Hydrotreating

et al. 2021

View full text Add to dashboard Cite

In this study, silver ion (Ag + )-aided laser-desorption ionization coupled to Fourier transform ion cyclotron resonance mass spectrometry was applied to investigate the effects on sulfur-containing compounds after the hydrodesulphurization (HDS) process. For this purpose, three sets of atmospheric residue (AR) and treated atmospheric residue (tAR) samples were analyzed by adding silver nitrate (AgNO 3 ) solution at an optimized concentration ratio of 1:1. Two high-sulfur samples (5.51 and 4.68% each) and one low-sulfur (0.47%) AR sample were studied. The results presented in this study showed that significant changes in the sulfur (S 1 and S 2 ) and hydrocarbon (HC) class were observed after treatment of the high-sulfur AR samples. The removal of S 1 species with lower double-bond equivalent values (DBE) (DBE < 9), presumably thiophenes and benzothiophenes, was more effective than the removal of S 1 species with higher DBE (DBE > 9) values. In addition, the abundance of the aromatic HC class was significantly increased, but the abundance of the nonaromatic HC class was not. In the case of a low-sulfur AR sample, no significant change in HC class was observed after treatment. Therefore, it was concluded that the transformation of benzo-and dibenzothiophene-type compounds to aromatic HCs is the major reaction occurring in the HDS process. The reaction pathways for the transformation were suggested based on the results obtained in this study and previous literature. This study confirms that laser-desorption silver ionization can efficiently ionize the hydrocarbons and nonpolar sulfur-containing compounds present in crude oil.

show abstract

“…Moreover, the comparison between atom fractions present in aliphatic groups, namely, hydrogen atoms determined by NMR spectroscopy and carbon atoms estimated using APPI FT-ICR MS, showed a clear correlation between NMR and MS data, despite a number of assumptions required to link double bond equivalent (DBE) values with molecular structures. Wang et al reported the use of detailed chemical compositions in vacuum gas oil and its distillate fractions obtained using FT-ICR MS for establishing the boiling point distribution of the main species . These boiling point distributions were calibrated with gas chromatographic simulated distillations, and after a correction by 50 °C, the FT-ICR MS derived curves matched.…”

Section: Introductionmentioning

confidence: 99%

Innate Sulfur Compounds as an Internal Standard for Determining Vacuum Gas Oil Compositions by APPI FT-ICR MS

2020

View full text Add to dashboard Cite

Innate sulfur components in high boiling petroleum samples were used as an internal standard for the estimation of the sample's composition through atmospheric pressure photo ionization (APPI) Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS). The first step was recording a representative mass spectrum for the aromatic components through the use of a time-of-flight mass spectrometer (TOF MS) to tune the FT-ICR MS parameters. The molecular weight and number of sulfur atoms per species identified in the high-resolution measurement, their mass spectrometric abundance, and the total sulfur content were combined to calculate the mass fraction of each (and by sum all) aromatic sulfur species present. Aromatic hydrocarbon (HC) compound quantification was based on an equimolar response compared to the aromatic sulfur species. Nitrogen species were treated analogously to the sulfur compounds by distributing the total nitrogen content. The mass balance of all aromatic compounds yields the mass fraction of saturated compounds (saturates), which is not directly accessible through the APPI process. The validity and biases of this approach were evaluated on a series of vacuum distilled fractions with narrow boiling ranges using comprehensive two-dimensional gas chromatography (GCxGC) as a reference technique. There are clear biases of the presented mass spectrometric approach compared to the GCxGC analysis, especially the underestimation of monoaromatic compounds and the overestimation of diaromatic sulfur compounds (benzothiophenes); however, the results agree surprisingly well for saturated compounds and, overall, for the aromatic hydrocarbon-and sulfur-containing compound families. The saturates fraction results also matched reasonably with gravimetrically determined saturates contents, and the isolated fractions were further characterized using field desorption/field ionization TOF MS. The inclusion of saturated compound carbon number distribution, in combination with FT-ICR MS data, yields a more complete compositional description of the studied vacuum gas oil samples. The method was also applied to two typical boiling range vacuum gas oil samples (derived from a Norwegian and an Arabian crude oil) to provide an insight into the usefulness and limitations of high-resolution mass spectrometry in a semiquantitative context, which is deemed important for many oil and gas industry applications.

show abstract

Detailed Chemical Composition of Straight-Run Vacuum Gas Oil and Its Distillates as a Function of the Atmospheric Equivalent Boiling Point

Cited by 9 publications

References 42 publications

Detailed Investigation of Compatibility of Hydrothermal Liquefaction Derived Biocrude Oil with Fossil Fuel for Corefining to Drop-in Biofuels through Structural and Compositional Analysis

Detailed Investigation of Compatibility of Hydrothermal Liquefaction Derived Biocrude Oil with Fossil Fuel for Corefining to Drop-in Biofuels through Structural and Compositional Analysis

Application of Laser-Desorption Silver-Ionization Ultrahigh-Resolution Mass Spectrometry for Analysis of Petroleum Samples Subjected to Hydrotreating

Innate Sulfur Compounds as an Internal Standard for Determining Vacuum Gas Oil Compositions by APPI FT-ICR MS

Contact Info

Product

Resources

About