Mechanistic insights into the thermal oxidative deposition of C10 hydrocarbon fuels

Jia, Tinghao; Pan, Lun; Wang, Xiaoyu; Xie, Jiawei; Gong, Si; Fang, Yunming; Hua, Liu; Zhang, Xiangwen; Zou, Ji‐Jun

doi:10.1016/j.fuel.2020.119136

Cited by 16 publications

(13 citation statements)

References 37 publications

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“…Among the stable samples, S-ULSD 1 had an outstanding profile from the others (this sample has a score higher than 10 in PC2Figure ), and precisely, the paraffin content contributes to this separation, as can be seen in loadings from Figure B. It has been reported that the presence of paraffins in fuel does not affect its stability, since this type of hydrocarbon has a low susceptibility to oxidation …”

Section: Resultsmentioning

confidence: 75%

“…Therefore, the organic radical will react according to the propagation steps in a radical-free mechanism and as a result, there is the formation of oxygenated species such as alcohols. 57,77 A potential oxidation mechanism for a naphthenoaromatic hydrocarbon is illustrated in Scheme 1. The first step in this mechanism is the formation of an organic radical from the abstraction of hydrogen in the presence of light or heat.…”

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: 75%

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

confidence: 99%

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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“…Experimental results indicate that the initial oxidation process starts with the dissociation of C-H rather than C-C bonds, despite C-H bonds having considerably higher BDEs than C-C bonds. 44,45 Our ndings, as shown in Fig. 6A, reveal that the oxygen-assisted H-abstraction has a lower energy barrier than direct C-C bond ssion of C1-C6 (these are possible reactions as discussed prior), which suggests that C-H bonds are more vulnerable to molecular oxygen and that the initial rupture of pinane is more likely to result from C-H dissociation.…”

Section: Oxidation Mechanismmentioning

confidence: 72%

Low-temperature thermal oxidation of biomass jet fuel pinane

Mi,

Chen,

et al. 2023

Sustainable Energy Fuels

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“…Furthermore, sediments from thermal oxidation would disrupt the stable operation of propulsion systems and eventually lead to catastrophic failures . To ensure the safety of aircraft operation, it is imperative to develop efficient means to inhibit fuel oxidation and deposition . It has been reported that the deterioration of hydrocarbon fuels could be alleviated by deoxygenation or desulfurization .…”

Section: Introductionmentioning

confidence: 99%

“…9 To ensure the safety of aircraft operation, it is imperative to develop efficient means to inhibit fuel oxidation and deposition. 10 It has been reported that the deterioration of hydrocarbon fuels could be alleviated by deoxygenation or desulfurization. 11 Oxidation could also be effectively inhibited by coating a tube with antioxidation layers.…”

Section: Introductionmentioning

confidence: 99%

Strategically Designed Hyperbranched Polyglycerol as an Efficient Integrated Additive for Hydrocarbon Fuels

Jiang

Shao

et al. 2023

J. Phys. Chem. C

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In this study, palmitoyl and hindered phenolic hyperbranched polyglycerol (CBHPG), with hyperbranched polyglycerol (HPG) as the structural core and hindered phenol or alkyl chain as the decorated shell, has been strategically designed and synthesized as an efficient integrated additive to enhance the energy efficiency and inhibit the oxidation coking of hydrocarbon fuels. The superior thermal stability and solubility of CBHPG were confirmed by thermal gravimetric analysis and dynamic light scattering. In the presence of CBHPG with high antioxidant activity, the oxidation induction time of n-undecane increased more than 2-fold at 170 °C. In deposition tests, the amphiphilic macromolecule CBHPG showed excellent performance with 58% oxidation coking inhibition rate of Chinese Jet Fuel (RP-3). The Jet Fuel Thermal Oxidation Stability test at 355 °C also exhibited that CBHPG could greatly reduce the deposit of RP-3 by decreasing the deposit rating from >4 to <1. In cracking experiments, the addition of 0.1 wt % CBHPG with sufficient polymerization could increase the conversion of n-undecane by 17.6%, with the corresponding heat sink by 6.1% at 675 °C. The above results indicated that CBHPG could efficiently enhance the performance of hydrocarbon fuels due to multipurposes in antioxidation, coking inhibition, and cracking promotion. CBHPG with a strategically designed structure as an integrated additive shows great promise in improving the energy efficiency and safety in future advanced aircraft.

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Mechanistic insights into the thermal oxidative deposition of C10 hydrocarbon fuels

Cited by 16 publications

References 37 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

Low-temperature thermal oxidation of biomass jet fuel pinane

Strategically Designed Hyperbranched Polyglycerol as an Efficient Integrated Additive for Hydrocarbon Fuels

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