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Cellulose pyrolysis and quantum chemistry

1998; Wiley; Volume: 66; Issue: 3 Linguagem: Inglês

10.1002/(sici)1097-461x(1998)66

1097-461X

Alex E. S. Green, Maurício Araújo Zanardi,

Catalysis for Biomass Conversion

International Journal of Quantum ChemistryVolume 66, Issue 3 p. 219-227 Properties, Dynamics, and Electronic Structure of Atoms and Molecules Cellulose pyrolysis and quantum chemistry† Alex E. S. Green, Corresponding Author Alex E. S. Green Clean Combustion Technology Laboratory, University of Florida, Gainesville, Florida 32611-2050Clean Combustion Technology Laboratory, University of Florida, Gainesville, Florida 32611-2050Search for more papers by this authorMauricio Zanardi, Mauricio Zanardi The Energy Department, UNESP Campus of Guaratingueta, BrasilSearch for more papers by this author Alex E. S. Green, Corresponding Author Alex E. S. Green Clean Combustion Technology Laboratory, University of Florida, Gainesville, Florida 32611-2050Clean Combustion Technology Laboratory, University of Florida, Gainesville, Florida 32611-2050Search for more papers by this authorMauricio Zanardi, Mauricio Zanardi The Energy Department, UNESP Campus of Guaratingueta, BrasilSearch for more papers by this author First published: 06 December 1998 https://doi.org/10.1002/(SICI)1097-461X(1998)66:3 3.0.CO;2-YCitations: 8 † Presented at the 1997 Sanibel Symposium. AboutPDF ToolsRequest permissionExport citationAdd to favoritesTrack citation ShareShare Give accessShare full text accessShare full-text accessPlease review our Terms and Conditions of Use and check box below to share full-text version of article.I have read and accept the Wiley Online Library Terms and Conditions of UseShareable LinkUse the link below to share a full-text version of this article with your friends and colleagues. Learn more.Copy URL Share a linkShare onFacebookTwitterLinked InRedditWechat Abstract Cellulose is the major constituent of most plants of interest as renewable sources of energy and is the most extensively studied form of biomass or biomass constituent. Predicting the mass loss and product yields when cellulose is subjected to increased temperature represents a fundamental problem in the thermal release of biomass energy. Unfortunately, at this time, there is no internally consistent model of cellulose pyrolysis that can organize the varied experimental data now available or provide a guide for additional experiments. Here, we present a model of direct cellulose pyrolysis using a multistage decay scheme that we first presented in the IJQC in 1984. This decay scheme can, with the help of an inverse method of assigning reaction rates, provide a reasonable account of the direct fast pyrolysis yield measurements. The model is suggestive of dissociation states of d-glucose (C6H10O5), the fundamental cellulose monomer. The model raises the question as to whether quantum chemistry could now provide the dissociation energies for the principal breakup modes of glucose into C1, C2, C3, C4, and C5 compounds. These calculations would help in achieving a more fundamental description of volatile generation from cellulose pyrolysis and could serve as a guide for treating hemicellulose and lignin, the other major biomass constituents. Such advances could lead to the development of a predictive science of biomass pyrolysis that would facilitate the design of liquifiers and gasifiers based upon renewable feedstocks. © 1998 John Wiley & Sons, Inc. Int J Quant Chem 66: 219–227, 1998 Citing Literature Volume66, Issue31998Pages 219-227 RelatedInformation