Molecular analysis of nitrogen-containing compounds in vacuum gas oils hydrodenitrogenation by (ESI+/-)-FTICR-MS

Mikhaylova, Polina; Oliveira, Luís Pereira de; Merdrignac, Isabelle; Berlioz‐Barbier, Alexandra; Nemri, Marouan; Giusti, Pierre; Pirngruber, Gerhard D.

doi:10.1016/j.fuel.2022.124302

Cited by 7 publications

(3 citation statements)

References 35 publications

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“…These compounds do not influence the formation of gums and sediments in middle distillates. ,,− Nevertheless, the absence of this class in most of the unstable ULSD samples may have contributed to the unstable performance when the ULSD samples were subjected to the induced storage test according to ASTM D5304. These results imply that such classes of compounds can be investigated in the search for new additives that increase the lifetime of the fuel …”

Section: Resultsmentioning

confidence: 99%

“…These results imply that such classes of compounds can be investigated in the search for new additives that increase the lifetime of the fuel. 69 …”

Section: Resultsmentioning

confidence: 99%

“…These results imply that such classes of compounds can be investigated in the search for new additives that increase the lifetime of the fuel. 69 On the other hand, the loadings for the HC, O, and O 2 classes mainly categorize the unstable ULSD samples, as shown in Figure S11B (see the Supporting Information). In the class distribution graph illustrated in Figure 3B, hydrocarbons and oxygenated compounds were predominantly detected among the unstable ULSD samples.…”

Section: Esi (±) Hr-ms Esi (±)mentioning

confidence: 99%

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Chemometric Analysis Combined with GC × GC-FID and ESI HR-MS to Evaluate Ultralow-Sulfur Diesel Stability

de Aguiar,

Roque,

de Lima

et al. 2024

ACS Omega

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Diesel has been the most employed fuel in highway and nonhighway transportation systems. Many studies over the past years have attempted to classify diesel as a stable or unstable composition since this fuel can still degrade during storage or thermal oxidative processes. Products generated because of such degradation are the reason for the formation of soluble gums and insoluble organic particulates, which in turn cause a negative influence on engine performance. This work reports a detailed composition of nonpolar and polar compounds in many ultralow-sulfur diesel (ULSD) samples by comprehensive two-dimensional gas chromatography with a flame ionization detector (GC × GC-FID) and electrospray ionization highresolution mass spectrometry (ESI HR-MS). In addition, chemometric approaches were applied for ULSD storage stability investigation. GC × GC-FID experiments achieved the nonpolar chemical characterization for the ULSD samples, including all main hydrocarbon classes: paraffins, mono-and dinaphthenics and olefins, and aromatics. The GC × GC-FID data combined with principal component analysis (PCA) described that the separation of the samples' concerning storage stability was mainly due to the contents of mono-and diaromatic compounds in the unstable ULSD samples. Moreover, PCA was also applied to the ESI (±) data set, and the results highlight the presence of compounds belonging to O class (natural antioxidants), which decrease the rate of oxygen consumption in the fuel, characterizing it as stable composition. The basic nitrogen compounds are mostly present in the stable ULSD samples indicating that they did not affect the stability of the fuel. On the other hand, the HC classes presented pronounced abundance among unstable ULSD samples suggesting that the fuel degradation may go through the oxidation of hydrocarbons and the formation of O x compounds as byproducts. Furthermore, MS/MS experiments point to the formation of C c H h N n O o -like precursor species, which can react with each other and lead to the formation of gums and insoluble sediments in the fuel. In summary, the results express the potential of using the GC × GC-FID and ESI (±) Orbitrap MS techniques as valuable tools for diesel stability evaluations.

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Section: Resultsmentioning

confidence: 99%

“…These results imply that such classes of compounds can be investigated in the search for new additives that increase the lifetime of the fuel. 69 …”

Section: Resultsmentioning

confidence: 99%

Section: Esi (±) Hr-ms Esi (±)mentioning

confidence: 99%

See 1 more Smart Citation

Chemometric Analysis Combined with GC × GC-FID and ESI HR-MS to Evaluate Ultralow-Sulfur Diesel Stability

de Aguiar,

Roque,

de Lima

et al. 2024

ACS Omega

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Mechanistic Insight into Heteroatom Removal from Vacuum Gas Oil Blended with PMMA or PET Waste

Zambrano,

Trueba,

Hita

et al. 2024

ChemSusChem

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This work analyzes vacuum gas oil (VGO) and hydrocracking products of feed blended with polymethylmethacrylate (PMMA) or polyethylene terephthalate (PET) in depth to clarify the oxygen, nitrogen, and sulfur removal pathways in these complex mixtures. Hydrocracking reactions are conducted in a semi‐batch reactor with a Pt‐Pd/HY bifunctional catalyst at 400 °C and 80 bar for 300 min with 10 wt% waste plastic using 0.1 catalyst/feed weight ratio. The samples are analyzed using various techniques, including high‐resolution mass spectrometry, providing an improved, more detailed analytical representation. The results demonstrate the synergistic effect of cofeeding oxygenated plastics to the VGO, altering the preferential reaction pathways of heteroatom‐containing species in the following order: nitrogen, oxygen, and sulfur. We assess the chemical structures from the gathered data, establish plausible reaction mechanisms, and evaluate the catalyst’s role.

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On-line reversed-phase liquid chromatography x supercritical fluid chromatography coupled to high-resolution mass spectrometry: A powerful tool for the characterization of advanced biofuels

Devaux

Mignot

Rouvière

et al. 2023

Journal of Chromatography A

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Molecular analysis of nitrogen-containing compounds in vacuum gas oils hydrodenitrogenation by (ESI+/-)-FTICR-MS

Cited by 7 publications

References 35 publications

Chemometric Analysis Combined with GC × GC-FID and ESI HR-MS to Evaluate Ultralow-Sulfur Diesel Stability

Chemometric Analysis Combined with GC × GC-FID and ESI HR-MS to Evaluate Ultralow-Sulfur Diesel Stability

Mechanistic Insight into Heteroatom Removal from Vacuum Gas Oil Blended with PMMA or PET Waste

On-line reversed-phase liquid chromatography x supercritical fluid chromatography coupled to high-resolution mass spectrometry: A powerful tool for the characterization of advanced biofuels

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