Analyzing solid fossil-fuel pitches by a combination of Soxhlet extraction and Fourier transform ion cyclotron resonance mass spectrometry

Zhang, Wen; Müllen, Kläus

doi:10.1016/j.carbon.2020.05.039

Cited by 17 publications

(9 citation statements)

References 64 publications

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“…The mass list with a signal to noise ratio of > 5 of each mass spectrum was generated by Data Analysis V4.5 and imported into Composer software (Sierra Analytics, Pasadena, California, USA) for the assignment of chemical formulas. 52 With an error range of 0.5 ppm, the most likely elemental composition of each monoisotopic mass peak was calculated according to the d e t e r m i n e d a c c u r a t e m a s s w i t h i n t h e r a n g e o f C 1−100 H 1−200 N 0−3 O 0−3 S 0−3 . Then, in order to achieve an overview of the compound distributions, all the assigned chemical formulas were divided into molecular classes (i.e., HC, S 1 , S 2 , O, N, etc.)…”

Section: Methodsmentioning

confidence: 99%

“…Raw data were further recalibrated during data analysis using a set of homologous alkylated compounds for each sample. The mass list with a signal to noise ratio of > 5 of each mass spectrum was generated by Data Analysis V4.5 and imported into Composer software (Sierra Analytics, Pasadena, California, USA) for the assignment of chemical formulas . With an error range of 0.5 ppm, the most likely elemental composition of each monoisotopic mass peak was calculated according to the determined accurate mass within the range of C 1–100 H 1–200 N 0–3 O 0–3 S 0–3 .…”

Section: Methodsmentioning

confidence: 99%

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Fuel and Chemical Properties of Waste Tire Pyrolysis Oil Derived from a Continuous Twin-Auger Reactor

et al. 2020

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Tire pyrolysis oil (TPO) is a complex mixture of hydrocarbons, and it is one of the useful fractions obtained from the pyrolysis of waste tires (WT). As a result of its high energy density (HHV ~ 43 MJ/kg), TPO use as a fuel in combustion systems is a promising approach for recycling WT. However, fundamental fuel characteristics and combustion properties of TPO are still unexplored, which stand as a bottleneck for potential applications.This work pursues a comprehensive understanding of the structural characteristics of a TPO produced in a labscale twin-auger reactor as a first step towards defining applications and upgrading strategies. Therefore, advanced analytical techniques such as Fourier Transform -Ion Cyclotron Resonance Mass Spectrometry (FT-ICR MS), and 1 H and 13 C Nuclear Magnetic Resonance (NMR) spectroscopy were utilized. In addition, we also present the characterization of a TPO obtained from adding CaO to WT, as a low-cost catalytic material for its in-situ upgrading, herein named TPO [CaO]. FT-ICR MS results revealed the significant presence of pure hydrocarbons (HC) (HC(TPO) = 74.9 % and HC(TPO[CaO]) = 78.6 %) and hydrocarbons containing one sulfur atom (S1) (S1(TPO) = 14.3 % and S1(TPO[CaO]) = 13.9 %). HC compounds were found mainly in the form of tri-aromatics (26 %), tetra-aromatics (13 and 15 %), and penta-aromatics (22 and 30 %), while S1 compounds in the form of dibenzothiophene (31 %) and benzonaphthothiophene (34 %). The resolved compounds by means of FT-ICR 2 MS exhibited an average double bond equivalent (DBE) number of 11.3 and 12.2 for TPO and TPO[CaO], respectively. These high DBE values were indicators of the significant presence of condensed aromatic structures. 1 H NMR analysis showed that hydrogen atoms in methylene (CH2), methyl (CH3), and naphthenic groups, as well as hydrogen atoms in aromatic structures make up more than 80 % of both fuels. Similarly, carbon atoms in paraffinic groups (both CH2 and CH3) and protonated carbons in aromatic rings together form more than 50 % of the carbon atoms in TPO and TPO [CaO]. The information reported in this work provides new insights into the structural characteristics of the TPO obtained in promising technology as the twin-auger reactor for its use as a fuel, as well as for the design of upgrading strategies.

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Section: Methodsmentioning

confidence: 99%

Section: Methodsmentioning

confidence: 99%

Fuel and Chemical Properties of Waste Tire Pyrolysis Oil Derived from a Continuous Twin-Auger Reactor

et al. 2020

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“…Vulcanized rubber powder is basically insoluble in toluene, and the soluble part increases after desulfurization (S-S/C-S). e swelling and degradation of rubber can be evaluated by quantitatively analyzing the volume and mass loss of toluene insoluble matter (TIM) [19,20]. During CRMA processing, after reaching the specified time each time, without affecting the stirring, the CRMA with a certain mass (M 0 ) was directly weighed out twice: Part a and Part b.…”

Section: Degradation and Swelling Of Crumb Rubbermentioning

confidence: 99%

Swelling and Degradation Characteristics of Crumb Rubber Modified Asphalt during Processing

Xia

Chen

Geng

et al. 2021

Mathematical Problems in Engineering

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The existence of cross-linked structure in crumb rubber modified asphalt (CRMA) leads to the complexity of its system. According to the preparation test of CRMA under different processing technology, the influence of processing temperature and time on the properties and cross-linking structure of CRMA was analyzed. By analyzing the volume expansion rate of the rubber powder after swelling and the toluene insoluble content attenuation rate, the formation conditions of the macro-level cross-linked structure were determined, and the relationship model between the cross-linked structure and the rubber asphalt performance was established. The results show that the rubber particles can form a continuous phase structure after swelling. At this time, the expansion ratio of the swollen rubber powder was 1.76–2.14. Too high temperature (above 200°C) and too long time (above 60 min) caused serious degradation of rubber. The suitable processing technology was stirring at 180–190°C for 45–60 min.

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“…Oil resins; 256 Molecular structures of asphaltenes; 7 Vanadyl porphyrins; 257,258 Polycyclic aromatic hydrocarbons (PAHs); 58,[259][260][261][262][263] Molecular weight distribution of kerogen 264 Heavy Oils and Vacuum Residua; 7,51,[265][266][267][268][269] Asphaltenes; 7,[270][271][272] Petroleum Porphyrin; 7,55,273 Biofuel Research; 7 Molecular weight of pitches; 263,[274][275][276][277][278][279][280][281][282][283] Naphthenic acids; 284,285 Well suited to heaviest samples. Aggregation, low shot-by-shot reproducibility, sample preparation requirements.…”

Section: Maldi (Matrix Assisted Laser Desorption Ionization)mentioning

confidence: 99%

Analytics Driving Kinetics: Advanced Mass Spectrometric Characterization of Petroleum Products

et al. 2021

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The current state-of-the-art in analysis techniques for petroleum fractions has progressed substantially during the last decade. This has helped to further improve the lumping procedures and modeling approaches of these complex systems. Recent advances in gas chromatography (GC), GC-field ionization mass spectrometry (GC-FIMS), and comprehensive gas chromatography (GC × GC) have made it possible to determine the compositions of fractions with up to 45 carbon atoms and in some cases up to C80. The combination of MS techniques with other selective detectors and reversed-phase column combinations has made it possible to quantify even traces of heteroatomic compounds in these complex hydrocarbon matrices. Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR-MS), in some cases combined with GC × GC for the lighter part, has pushed the characterization of larger macromolecules in particular asphaltenes. Matrix-assisted laser desorption/ionization (MALDI) is also used widely for this purpose but has the disadvantage that quantification is not obvious. The development of more detailed characterization techniques has not remained unnoticed in the petrochemical society, and more recently in the petrochemical kinetic modeling society. More detailed characterization of petrochemical fractions has made the implementation of detailed kinetic models for simulation and optimization possible including more and more molecular detail. Additionally, advances in photo-ionization mass spectrometry (PI-MS) have allowed the detection of reactive intermediates and direct kinetic measurements in time-resolved experiments. It can only be expected that this trend will continue and that the application field will move from now primarily petrochemistry, (from catalytic cracking, over hydrotreating and hydrocracking, to pyrolysis, combustion, and steam cracking) to larger-scale chemical recycling and biomass conversion processes.

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Analyzing solid fossil-fuel pitches by a combination of Soxhlet extraction and Fourier transform ion cyclotron resonance mass spectrometry

Cited by 17 publications

References 64 publications

Fuel and Chemical Properties of Waste Tire Pyrolysis Oil Derived from a Continuous Twin-Auger Reactor

Fuel and Chemical Properties of Waste Tire Pyrolysis Oil Derived from a Continuous Twin-Auger Reactor

Swelling and Degradation Characteristics of Crumb Rubber Modified Asphalt during Processing

Analytics Driving Kinetics: Advanced Mass Spectrometric Characterization of Petroleum Products

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