ArticleScientific reports2020
Initial pyrolysis mechanism and product formation of cellulose: An Experimental and Density functional theory(DFT) study.
Article in Scientific reports, 2020. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 16 papers.
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Who cites it
16 citing papers in PubMed.
- Article
- The Influence of Wood-Derived Compounds on the Quality of Alcoholic Beverages.Molecules (Basel, Switzerland) · 2026Review
- Topological isomerization unlocks exceptional elasticity and strength of cellulosic triboelectric aerogels.Nature communications · 2026Article
- Structure-dependent pyrolysis mechanisms of tobacco carbohydrates: from monosaccharides to polysaccharides under programmed and fast pyrolysis conditions.RSC advances · 2025Article
- Efficient formation of CRSC advances · 2025Article
- Identification and Mitigation of Pyrolysis Products in Laser-Cut Paper for Paper Spray Mass Spectrometry.Journal of the American Society for Mass Spectrometry · 2025Article
- Pyrolysis of metal oxides treatedHeliyon · 2024Article
- Cellulose Nanofiber-Alginate Biotemplated Cobalt Composite Multifunctional Aerogels for Energy Storage Electrodes.Gels (Basel, Switzerland) · 2023Article
- Thermal degradation of Affinisol HPMC: Optimum Processing Temperatures for Hot Melt Extrusion and 3D Printing.Pharmaceutical research · 2023Article
- Upcycling of the Used Cigarette Butt Filters through Pyrolysis Process: Detailed Kinetic Mechanism with Bio-Char Characterization.Polymers · 2023Article
- Co-pyrolysis of medical protective clothing and oil palm wastes for biofuel: Experimental, techno-economic, and environmental analyses.Energy (Oxford, England) · 2023Article
- Critical Review of the Recent Literature on Organic Byproducts in E-Cigarette Aerosol Emissions.Toxics · 2022Review
- Curcumin coated 3D biocomposite scaffolds based on chitosan and cellulose for diabetic wound healing.Heliyon · 2022Article
- Catalytic Fast Pyrolysis of Soybean Straw Biomass for Glycolaldehyde-Rich Bio-oil Production and Subsequent Extraction.ACS omega · 2021Article
- Quantification of Cellulose Pyrolyzates via a Tube Reactor and a Pyrolyzer-Gas Chromatograph/Flame Ionization Detector-Based System.ACS omega · 2021Article
- Dioxin and dibenzofuran like molecular analogues from the pyrolysis of biomass materials-the emerging challenge in bio-oil production.BMC chemistry · 2021Article
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Authors and funding
6 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
In this paper, analytical pyrolyzer coupled with a gas chromatography-mass spectrometry set-up (Py-GC/MS) and density functional theory(DFT) theory was used to reveal the initial pyrolysis mechanism and product formation mechanism of cellulose pyrolysis. We demonstrated an experimentally benchmarked molecular simulation approach that delineates pyrolysis process of cellulose. Experimental results indicated that the cellulose pyrolysis products mostly incorporate levoglucosan (LG), glycolaldehyde (HAA), 5-hydroxyfurfural (5-HMF), and the like. The constituents of fast pyrolysis products of cellulose and cellobiose demonstrated the identical trend, although the contents of certain products are different. Laying the foundation of experimental analysis, the reaction pathways of four categories of cellulose pyrolysis were outlined using DFT theory; the pathways are those of generating LG, HAA, and 5-HMF and the dehydration reaction in the process of cellulose pyrolysis. Also, by comparing the energy barriers of various reactions, the optimal pathway of different reactions were summarized. The deduced cellulose pyrolysis reaction pathway opened up new ideas for studying the pyrolysis behavior of cellulose.
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