Initial pyrolysis mechanism and product formation of cellulose: An Experimental and Density functional theory(DFT) study.

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

SUBMITTER: Wang Q 

PROVIDER: S-EPMC7046763 | biostudies-literature | 2020 Feb

REPOSITORIES: biostudies-literature