Recent contributions of photoionization mass spectrometry in the study of typical solid fuel pyrolysis
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摘要: 通过热解将固体燃料在热化学上转化为运输燃料和增值化学品是实现固体燃料高效利用的最为切实可行和兼顾经济性的途径之一。由于热解反应产物的复杂性，对固体燃料热解的中间产物和最终产物在分子水平上进行全面阐明对于理解热解反应机理至关重要，同时对提高热解过程的可持续性具有积极意义。光电离质谱（PIMS）技术被普遍认为是一种高度通用的过程分析技术，通过对热解气相产物中的离子进行实时检测和分析，为热解提供了实时的信息。为此，本工作综述了近年来PIMS技术在固体燃料（包括煤、生物质和固体推进剂）热解领域的应用，并对不同实验和模型的进展进行了概述。这些进展相互促进，有助于学者加深对热解固体燃料复杂过程的理解，并为未来深入研究热解机理提供有力支持。Abstract: Pyrolysis, an economically viable method, thermochemically converts solid fuel into transportation fuels and value-added chemicals, such as clean gas, liquid fuels, and chemicals, alongside undesirable by-products. Photoionization mass spectrometry (PIMS) is a versatile technique for real-time process analysis, offering ‘soft’ ionization for complex analytes, detecting and analyzing ions during in-situ pyrolysis. This review focuses on recent applications of PIMS during pyrolysis of solid fuels (i.e. coal, biomass and energetic materials). It summarizes studies on mass spectrometric analysis combined with different reactors and highlights the benefits othrough online PIMS as a diagnostic tool for in situ analysis. It provides an overview of interplay between experimental advancements and models and discusses future perspectives, potential applications in support of mechanistic studies.
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Key words:
- pyrolysis /
- photoionization mass spectrometry /
- coal /
- biomass /
- solid propellants /
- on-line analysis
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Figure 1 Energy of ionization for certain organic compounds[8] (with permission from International Union of Crystallography)
Figure 2 Proposed mechanism for the pyrolysis of model compounds featuring C−C bonds[38] (with permission from Elsevier)
Figure 3 Mass spectra profiles of volatile products from Huainan coal pyrolysis[44] (with permission from Amer Chemical Soc)
Figure 4 The influence of catalysts on the relative content of typical coal pyrolysis products[56] (with permission from Elsevier)
Figure 5 Relative content of primary volatiles from PC (a), HDPE (b) and their mixture PC/HDPE (7:3) pyrolysis (c)[61] (with permission from Elsevier)
Figure 7 (a) Schematic representation of iPEPICO setup[72] (b) PI spectrum of fulvenone ketene from catalytic pyrolysis of 2-methoxy acetophenone[73] (c) Fast pyrolysis of guaiacol over H-USY and results from the mass spectrum of iPEPICO at 10.5 eV photon energy[69] (with permission from AIP Publishing, Wiley-V C H Verlag Gmbh and Nature Portfolio)
Figure 8 Pyrolysis of furanic compounds over zeolite catalyst with mass spectrometric analysis (a) Schematic diagram of experimental set-up (b) Proposed pathways[77] (with permission from Amer Chemical Soc)
Figure 9 The pyrolysis of major constituents at 350 °C(a): Microcrystalline cellulose; (b): Birch hemicellulose; (c): Miscanthus lignin (photon energy 9.5 eV)[78]. (with permission from Royal Soc Chemistry)
Figure 10 Typical pyrolysis products of hemicellulose model compounds (a) xylose at 280 °C; (b) xylobiose at 280 °C; (c) xylan at 250 °C[82] (with permission from Elsevier)
Figure 11 Comparison of zeolite catalysts with different structures for catalytic pyrolysis of Oka in a fluidized bed at 500 °C (a) blank test, (b) the first injected of the fresh HZSM-5,(c) the 14th injected of the coked HZSM-5, (d) the first injected of the fresh hierarchical HZSM-5, (e) the 14th injected of the coked hierarchical HZSM-5[94](with permission from Royal Soc Chemistry)
Figure 12 The results obtained by online PIMS in pyrolysis experiments: (a) the total intensity of different products of NTO; (b) Products evolution of NTO with temperature; (c) the total intensity of different products of FOX-7; (d) Products evolution of FOX-7 with temperature; (e) the total intensity of different products of FOX-12; (f) Products evolution of FOX-12 with temperature[108−109] (with permission from Royal Soc Chemistry and Elsevier)
Figure 13 APPI HRMS in situ mass spectra of CL-20 decomposition products. (a) Full pyrolysis product spectrum, (b) enlarged spectrum in the m/z 300−430 range. The signal of the CL-20 molecule is represented by a down triangle symbol, while the products of the NO2 elimination, NO elimination, and O elimination reactions are represented by circles, stars, and diamonds, respectively[110] (with permission from Elsevier)
Figure 15 Tar, char and gases predicted by lumped kinetic models[125] (with permission from Taylor & Francis Inc)
Figure 16 Expremental and simulated light gases yield by coal pyrolysis with the improved CPD model[130] (with permission from Royal Society of Chemistry)
Table 1 Main characteristics of various raw biomass catalytic pyrolysis with PIMS
Feedstocks Pyrolysis temperatures Methods Catalyst Key findings Ref. Reactor Light source Spruce/fir mixture, beech 300−560 °C TG VUV lamp − at 300 °C, there were mainly phenolic and furanic products, and the oxidation process of oxygenated compounds existed at high temperatures (＞500 °C) [41] Beech, a mixture of spruce and fir, and coarse colza meal 250−500 °C TG VUV lamp − aliphatic hydrocarbons were found. alkaline biomass showed a strong signal of nitrogen-containing substances [22] Poplar 300–700 °C a tubular reactor SVUV − as a typical hardwood, the signal strength of pyrolysis products' syringyl subunits first increased and then decreased with the increase of temperature, while guaiacyl subunits continued to decrease [86] Micro-crystalline cellulose, xylan from birch, cellulose and lignin extracted from miscanthus and oak 350，450，
550 °Ca tubular reactor SVUV − a typical intermediate product of cellulose pyrolysis was found to be a possible precursor of the furanone-based species, and hydroxyacetaldehyde was the product of secondary reactions [78] Pine wood 300−700 °C a tubular reactor SVUV − as a typical softwood, polycyclic aromatic hydrocarbon (PAH) growth mechanism was demonstrated [87] Chrysophanol, emodin, rhein and aloe-emodin 373−973 K a PYR-2A pyrolyzer SVUV − the principal pyrolysis pathways for rhein involved the elimination reactions of CO, CO2 and HCOOH [88] Miscanthus, Douglas fir and oak 400 or 500 °C MFBRa VUV lamp − typical pyrolysis products of miscanthus, Douglas fir and oak were 4-vinylphenol, 4-methylguaiacol and 2,6-dimethoxy-4-(2-propenyl)-phenol [89] Miscanthus, oak and Douglas fir 200−500 °C a fixed-bed reactor VUV lamp − the most critical parameter affecting the chemical mechanisms during pyrolysis was the presence of inorganic constituents within the native biomass [83] Heartwood, sapwood, and bark (from Douglas fir and oak) 500 °C MFBRa Laser − the variation in pyrolysis products can largely be attributed to the mineral content as a primary factor [90] Douglas and oak 400 or 500 °C fixed bed reactor and MFBRa VUV lamp − the temporal evolution of key tar is indicated during both slow and fast pyrolysis conditions [91] Elm 500−700 °C MFBRa SVUV − the main factor impacting the change of primary tar during secondary reactions was the reaction temperature. At temperatures above 700 °C, the aerosols were primarily composed of large PAHs with over three rings [92] Elm 500−700 °C MFBRa aPPI − in secondary reactions, the primary mechanisms for transforming heavy compounds were deoxygenation and aromatization [93] Oak 500 or 600 °C MFBRa laser hierarchical zeolite desilicated zeolite was better than microporous zeolite for producing single aromatic compounds and was more stable when coke deposits formed [94] Xylan 300 °C a homemade tubular furnace SVUV Na2CO3 and K2CO3 alkali metal ions encouraged the creation of both char and lighter substances [23] Oka 500 °C MFBRa FT-ICR with ESI and APPI sources microporous and
hierarchical zeolitesthe mesopores HZSM-5 catalyst increased aromaticity and reduced oxygen-contenting products [95] Nannochloropsis, Spirulina, and Sargasso 500 °C a double micro-fixed-bed reactor SVUV HZSM-5 zeolite for algae, the product of monocyclic aromatic hydrocarbons was mainly derived from protein [96] Cellulose and polyethylene 50−700 °C TG VUV lamp HZSM-5 the co-feeding approach resulted in a notable enhancement in the generation of aromatic compounds [97] Cellulose and polyethylene 50−700 °C TG VUV lamp MgO the utilization of the MgO catalyst exhibited the capability to enhance the cellulose pyrolysis process and facilitate the cleavage of C–C bonds in polyethylene (PE) [98] Bamboo sawdust and polyethylene 50−650 °C fixed bed reactor VUV lamp − MgO catalyst can promote the Diels-Alder reaction in co-feeding pyrolysis, thus promoting aromatics production [99] Lignin and polyethylene 550 °C TG VUV lamp Cu-modified HZSM-5 Cu2O has better dehydrogenation activity and CuO has better selectivity of monocyclic aromatic hydrocarbons [40] a: A microfluidized bed reactor (MFBR). 
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