Insight into the formation mechanism of levoglucosenone in phosphoric acid-catalyzed fast pyrolysis of cellulose

Hu, Bin; Lü, Qiang; Wu, Yuting; Xie, Wen-luan; Cui, Minshu; Liu, Ji; Chen, Dong; Yang, Yongping

doi:10.1016/j.jechem.2019.08.001

Cited by 63 publications

(25 citation statements)

References 34 publications

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“…Later, the formation of LGO from the H 3 PO 4 -catalyzed cellulose pyrolysis has also been investigated by the authors' team. 293 The theoretical data indicate that both the primary evolution of the glucose unit and the further conversion of LG dominate the LGO formation under the H 3 PO 4 -catalyzed condition.…”

Section: Catalytic Pyrolysis Mechanism Of Biomassmentioning

confidence: 95%

“…Other reactions, i.e., dehydration, ring opening, and ring contraction, possess two different patterns that involve the participation of the single hydroxyl group or the entire carboxyl group of H 2 SO 4 . Later, the formation of LGO from the H 3 PO 4 -catalyzed cellulose pyrolysis has also been investigated by the authors’ team . The theoretical data indicate that both the primary evolution of the glucose unit and the further conversion of LG dominate the LGO formation under the H 3 PO 4 -catalyzed condition.…”

Section: Catalytic Pyrolysis Mechanism Of Biomassmentioning

confidence: 99%

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Recent Progress in Quantum Chemistry Modeling on the Pyrolysis Mechanisms of Lignocellulosic Biomass

et al. 2020

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Pyrolysis of lignocellulose biomass to produce various fuels and chemicals has gained increasing interest in recent decades. An in-depth understanding of the biomass pyrolysis reaction mechanisms is essential for the advancement of pyrolysis techniques. Quantum chemistry (QC) modeling is a powerful approach for the pyrolysis mechanism investigation at the atomic/molecular level. Despite a short history of only about 2 decades, its application to the biomass pyrolysis mechanism exploration has been well-developed, along with the fast advances of supercomputer and computational codes in the new century. This review addresses the recent progress on the pyrolysis mechanism of the three basic biomass components (cellulose, hemicellulose, and lignin) by QC modeling. On the basis of the QC modeling results reported in the literature, the current review critically summarizes the key developments about the pyrolysis chemistry of biomass by focusing on their microscopic elementary reactions, the formation routes of typical products, bimolecular interactions within or between biomass components, and catalytic effects of various catalysts. Notably, there are great gaps between the theoretical models employed in QC modeling and the natural biomass substance in the pyrolysis process. Therefore, a brief analysis of the challenges and future research perspectives is provided for the biomass pyrolysis mechanism research.

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Section: Catalytic Pyrolysis Mechanism Of Biomassmentioning

confidence: 95%

Section: Catalytic Pyrolysis Mechanism Of Biomassmentioning

confidence: 99%

Recent Progress in Quantum Chemistry Modeling on the Pyrolysis Mechanisms of Lignocellulosic Biomass

et al. 2020

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“…According to this study, after depolymerization of cellulose to LG, H 3 PO 4 alters competitiveness of the secondary pyrolytic pathways of LGO formation, and due to the relative weak steric hindrance of acid assisted transition states, activation free energies of the elementary reactions decrease; by this, LGO formation is facilitated. 46 During the decomposition of struvite, such a similar mechanism is supposed to be present in the pyrolysis environment.…”

Section: ■ Results and Discussionmentioning

confidence: 96%

Struvite Mineralized Wood as Sustainable Building Material: Mechanical and Combustion Behavior

Guo

Özparpucu

Windeisen‐Holzhauser

et al. 2020

ACS Sustainable Chem. Eng.

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A more extensive use of wood can reduce the environmental and climatic impact of the building industry. However, flammability limits the application of wood in multi-story and high rise timber buildings. Struvite mineralization has been shown to be a green solution for fire-resistant timber, but the influence of struvite minerals on the mechanical and gluing properties of wood as well as the combustion behavior have not been studied yet. In this work, we investigate the mechanical properties of mineralized wood by compression, bending, and tension tests as well as the gluing properties by tensile shear tests. Evolved gas analysis using GC/MSD system is applied to determine the thermal decomposition behavior of the mineralized wood, and Double shot analysis reveals volatile components of mineralized wood during the thermal decomposition process. The results show that the struvite mineralization treatment is a bulk modification technique that improves the fire resistance of wood. The mineralization can significantly influence the thermal decomposition behavior of wood, which results in an enhanced char formation. This char layer is a fire barrier that slows down the heat and oxygen penetration. The heat penetration rate of wood panels fabricated with mineralized wood is 0.6 mm/min during the cone calorimeter test, which is half of that of the wood panels fabricated with native wood. Transverse strength and stiffness under compression were improved, whereas mechanical loading in the longitudinal direction revealed similar or slightly decreased strength and stiffness. The mineralization had a minor impact on the gluing properties of solid wood. Wood mineralization by struvite may enable the more extensive use of wood in the construction sector as a substitute to less eco-friendly building materials.

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“…However, owing to the complexity of biomass structure and various pyrolysis reaction pathways, the bio-crude produced from biomass pyrolysis contains a large number of oxygenated compounds such as acids, aldehydes, ketones, dehydrated sugars and phenols, which make it difficult to be directly used as liquid fuel or chemicals [15,16]. Frequently, in order to promote the yield of desired chemicals, appropriate catalysts were used to adjust the composition and distribution of pyrolysis products via selectively enhancing some specific reactions that occur in the pyrolysis processes [9,[17][18][19][20]. Inorganic salts, metal oxides, and zeolites have been used as catalysts for this purpose [4,[21][22][23][24].…”

Section: Introductionmentioning

confidence: 99%

Selectively Producing Acetic Acid via Boric Acid-Catalyzed Fast Pyrolysis of Woody Biomass

Hou

Zhang

2021

Catalysts

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Boric acid is recently proved to be a good substitute for conventional acidic catalytic materials. However, few studies used boric acid as a catalyst in biomass pyrolysis. This study focused on the catalytic effects of boric acid (BA) on pyrolysis behaviors of woody biomass. The birch wood flour (WF) was used as feedstock and treated by impregnation of boric acid solution. Both untreated and boric acid-treated samples (BW) were characterized by FTIR and SEM. Thermogravimetry (TG) and pyrolysis coupled with gas chromatography and mass spectrometry (Py-GC/MS) techniques were used for studying mass loss, composition, and distribution of evolved volatiles formed from pyrolysis process. Additionally, a small fixed-bed pyrolyzer with an amplificated loading amount was used to prepare liquid products, and further, GC/MS were used to analyze the composition of these liquid products. Different pyrolysis temperatures and boric acid/wood flour mass ratios were also studied. The main results are as follows. Boric acid infiltrated into both cell cavity and cell wall through impregnation treatment. FTIR analysis showed that boric acid reacted with wood flour to form B-O-C bond during the treatment. After the treatment of boric acid, the initial degradation temperatures and residual carbon contents were increased, while the maximum weight loss rates were decreased. Boric acid significantly altered the composition and distribution of volatile pyrolysis products of wood flour. It significantly increased the contents of small molecule compounds such as acetic acid and furfural but, decreased the contents of phenol derivatives with high molecular weights. And these changes became more pronounced as the temperature increased. When mass ratio of boric acid (BA) to wood flour (WF) was 2, the acetic acid accounted for 91.28% of the total product in the pyrolysis liquid, which was 14 times higher than that of untreated wood flour. Boric acid effectively catalyzed fast pyrolysis of woody biomass to selectively produce acetic acid

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Insight into the formation mechanism of levoglucosenone in phosphoric acid-catalyzed fast pyrolysis of cellulose

Cited by 63 publications

References 34 publications

Recent Progress in Quantum Chemistry Modeling on the Pyrolysis Mechanisms of Lignocellulosic Biomass

Recent Progress in Quantum Chemistry Modeling on the Pyrolysis Mechanisms of Lignocellulosic Biomass

Struvite Mineralized Wood as Sustainable Building Material: Mechanical and Combustion Behavior

Selectively Producing Acetic Acid via Boric Acid-Catalyzed Fast Pyrolysis of Woody Biomass

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