Mechanism studies on β-D-glucopyranose pyrolysis by density functional theory methods

Journal of Analytical and Applied Pyrolysis

Volumn 105, Issue , 2014, Pages 23-34

  Zhang, Yayun ^a   Liu, Chao ^a   Xie, Hui ^a  

^a CHONGQING UNIVERSITY   (China)

Author keywords

Density functional theory (DFT); Hydroxyacetaldehyde (HAA); Pyrolysis mechanism; d Glucopyranose

Indexed keywords

ACETIC ACID; ACTIVATION ENERGY; ALDEHYDES; CELLULOSE; FORMIC ACID; FURFURAL; PH; PYROLYSIS; REACTION INTERMEDIATES; REACTION KINETICS; ORGANIC ACIDS;

5 HYDROXYMETHYL FURFURALS; CALCULATION RESULTS; D-GLUCOPYRANOSE; DENSITY FUNCTION THEORY; DENSITY FUNCTIONAL THEORY METHODS; HYDROXYACETALDEHYDE (HAA); PYROLYSIS MECHANISM; THERMODYNAMIC AND KINETIC ANALYSIS;

DENSITY FUNCTIONAL THEORY;

ACTIVATION ENERGY; CELLULOSE DERIVATIVES; PYROLYSIS;

EID: 84891832110     PISSN: 01652370     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jaap.2013.09.016     Document Type: Article

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