Analysis of hydrogenation products of biocrude obtained from hydrothermally liquefied algal biomass by comprehensive gas chromatography mass spectrometry (GC×GC-MS)

Rathsack, Philipp; Wollmerstaedt, Hendrik; Kuchling, Thomas; Kureti, Sven

doi:10.1016/j.fuel.2019.03.076

Cited by 23 publications

(16 citation statements)

References 37 publications

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“…Furthermore, each of the data points shown can cover a number of isomers, which cannot be resolved by MS, meaning that the number of structurally diverse compounds can be higher than the total number of points within the plots. This assumption is reasonable, as the results from GC × GC show that several isomers per molecular formula exist at lower molecular weights . The number of isomers theoretically possible at a given molecular formula increases exponentially with the number and length of alkyl substituents.…”

Section: Resultsmentioning

confidence: 87%

“…The hydrogenation experiments were described in a preceding paper; more detailed experimental parameters can be found there . In short, the biocrude was obtained from suspensions of 20% (w/w) dry C.…”

Section: Methodsmentioning

confidence: 99%

“…This paper presents the second part of a study aiming to analyze a HTL biocrude obtained from Chlorella vulgaris and products from its hydrogenation using highly resolving GC and MS. An earlier paper presented the results from comprehensive GC–MS (GC × GC–MS), and in this paper, we present results from FT-ICR-MS.…”

Section: Introductionmentioning

confidence: 99%

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Analysis of Hydrogenation Products of Biocrude Obtained from Hydrothermally Liquefied Algal Biomass Using Fourier-Transform Ion Cyclotron Resonance Mass Spectrometry

et al. 2020

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Fuels produced from microalgae are a promising alternative to fuels from fossil resources. Algae biomass can be transformed by means of hydrothermal liquefaction (HTL) into biocrudes, which need upgrading by hydrotreatment to meet transportation fuel requirements. This study presents analyses of HTL biocrude catalytically hydrogenated in a batch reactor at temperatures between 360 and 400 °C and residence times between 2.5 and 10.2 h. Selected samples were analyzed using Fourier-transform ion cyclotron resonance mass spectrometry (FT-ICR-MS). The goal of the analysis was to characterize higher-molecular-weight components in the biocrude. Electrospray ionization in positive and negative ion modes was successfully applied to ionize heteroatomic compounds and, depending on the ionization mode and sample, molecular formulas between 200 and 1200 u were observed. Several molecular formulas were identified containing oxygen, nitrogen, sulfur, and phosphorous and with carbon numbers (n C) between 10 and 60. The results show that the number of observable heteroatomic molecular formulas increases for samples representing intermediate hydrogenation conditions compared to the crude, and decreases at higher temperatures and times. Nitrogen compounds of type C c H h N n with n ≥ 2 are more easily removed from the samples than those with n = 1. Also, the fate of oxygen compounds can be tracked upon hydrogenation, revealing that phenols are effectively removed, but aliphatic and monounsaturated carboxylic acids are still present in samples representing the greatest hydrogenation progress. The analysis allows the decrease of heteroatomic compounds to be tracked and facilitates the selection of optimum parameters for the hydrogenation of HTL biocrudes from algae.

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Section: Resultsmentioning

confidence: 87%

Section: Methodsmentioning

confidence: 99%

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Analysis of Hydrogenation Products of Biocrude Obtained from Hydrothermally Liquefied Algal Biomass Using Fourier-Transform Ion Cyclotron Resonance Mass Spectrometry

et al. 2020

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“…The authors claimed that comprehensive 2D‐GC‐MS could allow enhanced diagnostics for process performances or risk management in the current contest of the new gas and bioenergy industry [65]. In the past 5 years, GC×GC‐MS methodology has been widely employed for the characterization FAMEs, phenols and ketones and other oxygenated compounds in bio‐oil from the pyrolysis of different biomass feedstock, such as coffee waste, [66,67], coconut fibers [68], rice straw [69,70], tropical seeds [71], residue of vegetable oil [72], as well as in the characterization of creosote from wood coal tars [73], and the hydrogenation products of bio‐crude obtained from hydrothermally liquefied algal biomass [74].…”

Section: Gc‐based Techniquesmentioning

confidence: 99%

Advanced mono‐ and multi‐dimensional gas chromatography–mass spectrometry techniques for oxygen‐containing compound characterization in biomass and biofuel samples

Beccaria

Siqueira

Maniquet

et al. 2020

J of Separation Science

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A wide variety of biomass, from triglycerides to lignocellulosic‐based feedstock, are among promising candidates to possibly fulfill requirements as a substitute for crude oils as primary sources of chemical energy feedstock. During the feedstock processing carried out to increase the H:C ratio of the products, heteroatom‐containing compounds can promote corrosion, thus limiting and/or deactivating catalytic processes needed to transform the biomass into fuel. The use of advanced gas chromatography techniques, in particular multi‐dimensional gas chromatography, both heart‐cutting and comprehensive coupled to mass spectrometry, has been widely exploited in the field of petroleomics over the past 30 years and has also been successfully applied to the characterization of volatile and semi‐volatile compounds during the processing of biomass feedstock. This review intends to describe advanced gas chromatography–mass spectrometry‐based techniques, mainly focusing in the period 2011–early 2020. Particular emphasis has been devoted to the multi‐dimensional gas chromatography–mass spectrometry techniques, for the isolation and characterization of the oxygen‐containing compounds in biomass feedstock. Within this context, the most recent advances to sample preparation, derivatization, as well as gas chromatography instrumentation, mass spectrometry ionization, identification, and data handling in the biomass industry, are described.

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“…The parallel use of two detectors, where qMS is applied for qualitative identification and FID for quantification, is a widely used concept. Examples can be found in the petrochemical industry where the combination of this dual-detection approach with GC×GC separation offers numerous advantages; − however, it is rarely adopted in the forensic sciences and/or VOC analysis. A retrofitting approach, such as proposed in this study, is a cost efficient option, because it allows the ability to upgrade a 1D GC system to a GC×GC system with relative ease.…”

Section: Introductionmentioning

confidence: 99%

Translation of a One-Dimensional to a Comprehensive Two-Dimensional Gas Chromatography Method with Dual-Channel Detection for Volatile Organic Compound Measurement in Forensic Applications

et al. 2020

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After its introduction in the early 1990s, comprehensive two-dimensional gas chromatography (GC×GC) has evolved from a separation science research tool to the central component of many industries. Despite the maturity of the technique, some fields remain reluctant to its use in routine applications. In the case of forensic science, some constraints are the strict requirements enforced in forensic laboratories and the time and effort that must be invested for intralaboratory method validation. Concerns may also arise about whether information could be lost when transitioning to a new technique. This study reports on a method translation from conventional one-dimensional (1D) GC to GC×GC, ensuring the integrity of data as conversion is made. The GC was retrofitted with a reverse fill/flush (RFF) flow modulator and equipped with dual-channel detection using a quadrupole mass spectrometer (qMS) and a flame ionization detector (FID). The parallel use of two detectors, where qMS was applied for qualitative identification and FID for quantification, allowed higher flows and slightly wider peaks to be exploited for the analysis of a volatile organic compound (VOC) reference mixture relevant to forensic VOC profiling. Peak quality assessment and calibration curves using GC-qMS and GC×GC-qMS/FID document the transfer and adaptation of the original method without a loss in data quality. Furthermore, the preprocessing and the data analysis processing steps, including calibration and peak quality assessment for each of the three data sets, are explained in detail. This information provides benchmark data for routine laboratories that want to implement a GC×GC approach into routine workflows.

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Analysis of hydrogenation products of biocrude obtained from hydrothermally liquefied algal biomass by comprehensive gas chromatography mass spectrometry (GC×GC-MS)

Cited by 23 publications

References 37 publications

Analysis of Hydrogenation Products of Biocrude Obtained from Hydrothermally Liquefied Algal Biomass Using Fourier-Transform Ion Cyclotron Resonance Mass Spectrometry

Analysis of Hydrogenation Products of Biocrude Obtained from Hydrothermally Liquefied Algal Biomass Using Fourier-Transform Ion Cyclotron Resonance Mass Spectrometry

Advanced mono‐ and multi‐dimensional gas chromatography–mass spectrometry techniques for oxygen‐containing compound characterization in biomass and biofuel samples

Translation of a One-Dimensional to a Comprehensive Two-Dimensional Gas Chromatography Method with Dual-Channel Detection for Volatile Organic Compound Measurement in Forensic Applications

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