Characterization of Birch Wood Pyrolysis Oils by Ultrahigh-Resolution Fourier Transform Ion Cyclotron Resonance Mass Spectrometry: Insights into Thermochemical Conversion

Kekäläinen, Timo; Venäläinen, Tapani; Jänis, Janne

doi:10.1021/ef500849z

Cited by 42 publications

(56 citation statements)

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“…[18][19][20][21][22][23][24][25][26][27] One of the earliest studies was the work of Smith et al who used orbitrap mass spectrometry coupled with LDI to analyze fast pyrolysis oil from pine wood. 18 They were able to detect 136 oxygen-containing compounds, mostly lignin depolymerization products.…”

Section: Introductionmentioning

confidence: 99%

“…While small amount of nitrogen was also observed by elemental analysis in both phases, no nitrogen-containing heteroatom compounds could be identified by ESI FT-ICR MS. However, some previous studies have reported a few, low abundant nitrogen containing species in pyrolysis oils 26,27. In addition, sodiated compounds (O x Na heteroatom class) could be identified from the aqueous phase.…”

mentioning

confidence: 97%

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Compositional Characterization of Phase-Separated Pine Wood Slow Pyrolysis Oil by Negative-Ion Electrospray Ionization Fourier Transform Ion Cyclotron Resonance Mass Spectrometry

et al. 2015

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Chemical composition of slow pyrolysis oil made from unbarked Scots pine (Pinus sylvestris) was characterized by negative-ion electrospray ionization Fourier transform ion cyclotron resonance (ESI FT-ICR) mass spectrometry and various bulk analyses. The wood pieces were heated stepwise in a batch pyrolysis reactor to the target temperature of 320 °C. The resulting pyrolysis oil spontaneously separated into aqueous and oily phases. The water content of the aqueous phase was as high as 60.4 wt-%, whereas for the oily phase it was only 8.1 wt-%. The bulk O/C-ratio (on a dry basis) was more than twice as high for the aqueous phase as compared to the oily phase (0.61 vs 0.29), suggesting different chemistry between the two phases. Based on pH and total acid number measurements, the aqueous phase was more acidic than the oily phase. The ESI FT-ICR technique was used to characterize pyrolysis oils' heavier, non-volatile and thermally labile species. The total amounts of the identified chemical formulae were ~540 and ~630 for the aqueous and oily phases, respectively. The majority of the detected compounds were oxygen-containing species, representing heteroatom classes O 2 -O 14 . The O 9 -O 14 class compounds were present only in the aqueous phase.The O 2 -O 4 compounds comprised of different acids, including resin acids and several types of fatty acids, such as hydroxy fatty acids and diacids, which were concentrated in the oily phase. However, saturated fatty acids were more dominant in the aqueous phase possibly due to their increased solubility through micelle formation in a more aqueous environment. Anhydrosugars and other high oxygen-containing compounds were present only in the aqueous phase. Both phases also contained condensed aromatic compounds (pyrolytic lignin), representing heteroatom classes O 3 -O 8 .

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Section: Introductionmentioning

confidence: 99%

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confidence: 97%

Compositional Characterization of Phase-Separated Pine Wood Slow Pyrolysis Oil by Negative-Ion Electrospray Ionization Fourier Transform Ion Cyclotron Resonance Mass Spectrometry

et al. 2015

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“…Table 2 shows a list of some of the formulas attributed to the O x (x=2-5) class with the same DBE but with an increment of~30.01050 Da due to the loss of a methoxy group (CH 2 O). Such an increment is typical of pyrolysis products generated from lignin biomass [20]. Figure 5 shows the DBE x relative abundance plots for all of the detected Ox classes (x=2-5) for the three bio-oils analyzed.…”

Section: Resultsmentioning

confidence: 91%

“…For instance, Jarvis and co-workers [19] used ESI (−)-FT-ICR MS data to characterize the bio-oil obtained from the pyrolysis of solid biomass, and hundreds of acidic polar compounds were attributed. Kekäläinen and co-workers [20] also characterized hundreds of compounds of Birch wood pyrolysis oils (BWPO) using ESI(−)-FT-ICR MS and primarily observed compounds in the O x (x=2-14) class. Because ESI(−) was used, acidic polar components were assigned, such as acids, phenols, and alcohols.…”

Section: Introductionmentioning

confidence: 99%

Comprehensive Characterization of Second-Generation Biofuel from Invasive Freshwater Plants by FT-ICR MS

Santos

Silva

et al. 2015

Bioenerg. Res.

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Ultra-high resolution and mass accuracy Fourier transform-ion cyclotron resonance mass spectrometry (FT-ICR MS) with an electrospray ionization source (ESI) was applied to characterize the bio-oils that were obtained using a micropyrolysis process of alternative biomasses from Eichornia crassipes (water hyacinth), Eichornia azurea, and Nymphaea ssp. The methods that have been developed for petroleomic analyses using FT-ICR MS data from crude oils and derivatives have been successfully employed herein to process such data for bio-oils, which are known as secondgeneration liquid biofuels. Class distributions and DBE versus carbon number plots (DBE×Cn) were, therefore, obtained. The class distribution for the oil obtained from water hyacinth was similar to those of classical bio-oils and appeared to be applicable as a fingerprint for bio-oils in general. The N 2 and O 2 classes obtained via ESI(+) and the O 2 and O 3 classes obtained via ESI(−) were the major classes detected in the bio-oil samples. In the DBE x Cn plot of the ESI(−)-FT-ICR MS data, the distribution of saturated and unsaturated fatty acids could be visualized, and characteristic profiles were determined for each bio-oil. It is, therefore, demonstrated that the FT-ICR MS methodology that is commonly applied to petroleomic studies can also be applied to biofuel characterization in a comprehensive Bbio-oilomics^approach.

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“…In addition to petroleum and its derived liquids, FT‐ICR MS has been successfully used for molecular composition analysis of other complex organic mixtures, such as bio‐oils (Jarvis et al, ; Liu et al, ; Kekäläinen, Venäläinen, & Jänis, ; Sudasinghe et al, ; Tessarolo et al, ; Yan et al, ), shale oils (Bae et al, ; Chen et al, ; Jin, Kim, & Birdwell, ; Tong et al, ), humic and fulvic acids (Brown & Rice, ; Kujawinski, Hatcher, & Freitas, ; Kramer, Kujawinski, & Hatcher, ), and biological samples (Brown, Kruppa, & Dasseux, ; Smith et al, ; Barry et al, ), as well as CDLs which will be discussed specifically in the sections below. The application of FT‐ICR MS to the revelation of molecular compositions of chemicals in CDLs has lagged behind that of petroleum and its derived liquids.…”

Section: Class Chemicals Revealed By Ft‐icr Ms In Cdlsmentioning

confidence: 99%

Application of mass spectrometry in the characterization of chemicals in coal‐derived liquids

Liu

Fan

Wei

et al. 2016

Mass Spectrometry Reviews

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Coal-derived liquids (CDLs) are primarily generated from pyrolysis, carbonization, gasification, direct liquefaction, low-temperature extraction, thermal dissolution, and mild oxidation. CDLs are important feedstocks for producing value-added chemicals and clean liquid fuels as well as high performance carbon materials. Accordingly, the compositional characterization of chemicals in CDLs at the molecular level with advanced analytical techniques is significant for the efficient utilization of CDLs. Although reviews on advancements have been rarely reported, great progress has been achieved in this area by using gas chromatography/mass spectrometry (GC/MS), two-dimensional GC-time of flight mass spectrometry (GC × GC-TOFMS), and Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS). This review focuses on characterizing hydrocarbon, oxygen-containing, nitrogen-containing, sulfur-containing, and halogen-containing chemicals in various CDLs with these three mass spectrometry techniques. Small molecular (< 500 u), volatile and semi-volatile, and less polar chemicals in CDLs have been identified with GC/MS and GC × GC-TOFMS. By equipped with two-dimensional GC, GC × GC-TOFMS can achieve a clearly chromatographic separation of complex chemicals in CDLs without prior fractionation, and thus can overcome the disadvantages of co-elution and serious peak overlap in GC/MS analysis, providing much more compositional information. With ultrahigh resolving power and mass accuracy, FT-ICR MS reveals a huge number of compositionally distinct compounds assigned to various chemical classes in CDLs. It shows excellent performance in resolving and characterizing higher-molecular, less volatile, and polar chemicals that cannot be detected by GC/MS and GC × GC-TOFMS. The application of GC × GC-TOFMS and FT-ICR MS to chemical characterization of CDLs is not as prevalent as that of petroleum and largely remains to be developed in many respects. © 2016 Wiley Periodicals, Inc. Mass Spec Rev 36:543-579, 2017.

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Characterization of Birch Wood Pyrolysis Oils by Ultrahigh-Resolution Fourier Transform Ion Cyclotron Resonance Mass Spectrometry: Insights into Thermochemical Conversion

Cited by 42 publications

References 41 publications

Compositional Characterization of Phase-Separated Pine Wood Slow Pyrolysis Oil by Negative-Ion Electrospray Ionization Fourier Transform Ion Cyclotron Resonance Mass Spectrometry

Compositional Characterization of Phase-Separated Pine Wood Slow Pyrolysis Oil by Negative-Ion Electrospray Ionization Fourier Transform Ion Cyclotron Resonance Mass Spectrometry

Comprehensive Characterization of Second-Generation Biofuel from Invasive Freshwater Plants by FT-ICR MS

Application of mass spectrometry in the characterization of chemicals in coal‐derived liquids

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