Journal Article10.1021/JO5025255
Fast pyrolysis of 13C-labeled cellobioses: gaining insights into the mechanisms of fast pyrolysis of carbohydrates.
John C. Degenstein,Priya Murria,Mckay W Easton,Huaming Sheng,Matthew R. Hurt,Alex R. Dow,Jinshan Gao,John J. Nash,Rakesh Agrawal,W. Nicholas Delgass,Fabio H. Ribeiro,Hilkka I. Kenttämaa +11 more
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TL;DR: Several products are shown to result entirely from fragmentation of the reducing end of cellobiose, leaving the nonreducing end intact in these products, in disagreement with mechanisms proposed previously.
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Abstract: A fast-pyrolysis probe/tandem mass spectrometer combination was utilized to determine the initial fast-pyrolysis products for four different selectively 13C-labeled cellobiose molecules. Several products are shown to result entirely from fragmentation of the reducing end of cellobiose, leaving the nonreducing end intact in these products. These findings are in disagreement with mechanisms proposed previously. Quantum chemical calculations were used to identify feasible low-energy pathways for several products. These results provide insights into the mechanisms of fast pyrolysis of cellulose.
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Mechanistic Understanding of Thermochemical Conversion of Polymers and Lignocellulosic Biomass
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Unveiling the initial pyrolytic mechanisms of cellulose by DFT study
TL;DR: Using density function theory (DFT) simulations, ten chemical reaction pathways of cellobiose model compound are proposed to explore the initial mechanism of cellulose pyrolysis in this article.
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References
The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: two new functionals and systematic testing of four M06-class functionals and 12 other functionals
Yan Zhao,Donald G. Truhlar +1 more
TL;DR: The M06-2X meta-exchange correlation function is proposed in this paper, which is parametrized including both transition metals and nonmetals, and is a high-non-locality functional with double the amount of nonlocal exchange.
Self‐consistent molecular orbital methods. XX. A basis set for correlated wave functions
TL;DR: In this article, a contract Gaussian basis set (6•311G) was developed by optimizing exponents and coefficients at the Mo/ller-Plesset (MP) second-order level for the ground states of first-row atoms.
16.1K
Pyrolysis of Wood/Biomass for Bio-oil: A Critical Review
TL;DR: A review of the recent developments in the wood pyrolysis and reports the characteristics of the resulting bio-oils, which are the main products of fast wood pyrotechnics, can be found in this paper.
5.6K
Top ten fundamental challenges of biomass pyrolysis for biofuels.
TL;DR: In this paper, the authors identify ten fundamental research challenges that, if overcome, would facilitate commercialization of pyrolytic biofuels and present a review of relevant literature.
558
Product distribution from fast pyrolysis of glucose-based carbohydrates
TL;DR: In this paper, the product distribution arising from the primary reactions during 500°C fast pyrolysis of several mono-, di-and polysaccharides is studied with the help of micro-pyrolyzer.
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