A density functional theory study on the mechanism of levoglucosan pyrolysis

Ranliao Huaxue Xuebao/Journal of Fuel Chemistry and Technology

Volumn 40, Issue 7, 2012, Pages 807-815

  Huang, Jin Bao ^a   Liu, Chao ^b   Zeng, Gui Sheng ^c   Xie, Yu ^c,d   Tong, Hong ^a   Li, Wei Min ^a  

^a GUIZHOU UNIVERSITY   (China)

^b CHONGQING UNIVERSITY   (China)

^c NANCHANG HANGKONG UNIVERSITY   (China)

^d South China University of Technology   (China)

Author keywords

Density functional theory; Levoglucosan; Pyrolytic reaction

Indexed keywords

ACTIVATION ENERGY; ENERGY BARRIERS; PYROLYSIS; REACTION INTERMEDIATES;

CELLULOSE PYROLYSIS; DENSITY FUNCTIONAL THEORY STUDIES; DENSITY-FUNCTIONAL-THEORY; LEVOGLUCOSAN; PYROLYSIS MECHANISM; PYROLYTIC REACTION; REACTION PATHWAYS; THERMODYNAMIC PARAMETER; THERMODYNAMICS AND KINETICS; TRANSITION STATE;

DENSITY FUNCTIONAL THEORY;

EID: 84865571169     PISSN: 2097213X     EISSN: 18725813     Source Type: Journal    
DOI: 10.1016/s1872-5813(12)60030-9     Document Type: Article

References (17)

1. ASSILAKIS R, CARANGELO R M, WOJTOWICZ M A. TG-FTIR analysis of biomass pyrolysis [J]. Fuel, 2001, 80(12): 1765-1786.
2. MCKENDRY P. Energy production from biomass: Part 1 Overview of biomass [J]. Bioresour Technol, 2002, 83(1): 37-46.
3. LEUNG D Y C, YIN X L, WU C Z. A review on the development and commercialization of biomass gasification technologies in China [J]. Renewable Sustainable Energy Rev, 2004, 8(6): 565-580.
4. CAPART R, KHEZAMI L, BURNHAM A K. Assessment of various kinetic models for the pyrolysis of a microgranular cellulose [J]. Thermochim Acta, 2004, 417(1): 79-89.
5. LIAO Y, WANG S, MA X, LUO Z, CEN K. Numerical approach to the mechanism of cellulose pyrolysis [J]. Chin J Chem Eng, 2005, 13(2): 197-203.
6. PISKORZ J, RADLEIN D, SCOT D S. On the mechanism of the rapid pyrolysis of cellulose [J]. J Anal Appl Pyrolysis, 1986, 9(1): 121-137.
7. PROSEN E M, RADLEIN D, PISKORZ J. Microbial utilization of levoglucosan in wood pyrolysate as a carbon and energy source [J]. Biotechnol Bioeng, 1993, 42(4): 538-541.
8. LIAO Yan-fen, LUO Zhong-yang, WANG Shu-rong, YU Chun-Jiang, CEN Ke-fa. Mechanism of cellulose rapid pyrolysis: I Experimental research [J]. Journal of Fuel Chemistry and Technology, 2003, 31(2): 133-138.
9. WANG Shu-rong, LIAO Yan-fen, TAN Hong, LUO Zhong-yang, CEN Ke-fa. Mechanism of cellulose rapid pyrolysis: II Mechanism analysis [J]. Journal of Fuel Chemistry and Technology, 2003, 31(4): 317-321.
10. LIAO Yan-fen, WANG Shu-rong, LUO Zhong-yang. Research on cellulose rapid pyrolysis [J]. Journal of Zhejiang University (Engineering Science), 2003, 37(5): 582-587.
11. SHAFIZADEH F, LAI Y Z. Thermal degradation of l, 6-anhydro-β-D-glucopyranose [J]. J Org Chem, 1972, 37(2): 278-284.
12. LI S, LYONS-HART J, BANYASZ J, SHAFER K. Real-time evolved gas analysis by FTIR method: An experimental study of cellulose pyrolysis [J]. Fuel, 2001, 80(12): 1809-1817.
13. LIAO Yan-fen. Mechanism study of cellulose pyrolysis [D]. Hangzhou: Zhejiang University, 2003.
14. HUANG Jin-bao, LIU Chao, WEI Shun-an. Thermodynamic studies of pyrolysis mechanism of cellulose monomer [J]. Acta Chimica Sinica, 2009, 67(18): 2081-2086.
15. HUANG J, LIU C, WEI S. Density functional theoretical studies on pyrolysis mechanism of β-D-glucopyranose [J]. J Mol Struct-THEOCHEM, 2010, 958(1/3): 64-70.
16. ALOYS D P, GERT B E, JAAP J B. Curie-point pyrolysis-capillary gas chromatography-high-resolution mass spectrometry of microcrystalline cellulose [J]. J Anal Appl Pyrolysis, 1989, 14(4): 237-280.
17. FRISCH M J, TRUCKS G W, SCHLEGEL H B, et al. GAUSSIAN 03 [CP]. Gaussian, Inc. Pittsburgh PA, 2003.