Citation: | HUANG Jin-bao, WU Shu-bin, CHENG Hao, LEI Ming, LIANG Jia-jin, TONG Hong. Theoretical study of bond dissociation energies for lignin model compounds[J]. Journal of Fuel Chemistry and Technology, 2015, 43(04): 429-436. |
AMEN-CHEN C, PAKDEL H, ROY C. Production of monomeric phenols by thermochemical conversion of biomass:A review[J]. Bioresour Technol, 2001, 79(3):277-299.
|
谭洪, 王树荣, 骆仲泱, 余春江, 岑可法. 木质素快速热裂解试验研究[J]. 浙江大学学报(工学版), 2005, 39(5):710-714. (TAN Hong, WANG Shu-rong, LUO Zhong-yang, YU Chun-jiang, CEN Ke-fa. Experimental study of lignin flash pyrolysis[J]. J Zhejiang Univ (Eng Sci), 2005, 39(5):710-714.)
|
HUANG J, LIU C, TONG H, LI W, WU D. Theoretical studies on pyrolysis mechanism of xylopyranose[J]. Comput Theor Chem, 2012, 1001:44-50.
|
LIU Q, WANG S, ZHENG Y, LUO Z, CEN K. Mechanism study of wood lignin pyrolysis by using TG-FTIR analysis[J]. J Anal Appl Pyrolysis, 2008, 82(1):170-177.
|
HUANG J, LIU C, WU D, TONG H, REN L. Density functional theory studies on pyrolysis mechanism of β-O-4 type lignin dimer model compound[J]. J Anal Appl Pyrolysis, 2014, 109:98-108.
|
邱卫华, 陈洪章. 木质素的结构、功能及高值化利用[J]. 纤维素科学与技术, 2006, 14(1):52-59. (QIU Wei-hua, CHEN Hong-zhang. Structure, function and higher value application of lignin[J]. J Cellul Sci Technol, 2006, 14(1):52-59.)
|
蒋挺大. 木质素[M]. 北京:化学工业出版社, 2001. (JIANG Ting-da. Lignin[M]. Beijing:Chemistry Industry Press, 2001.)
|
NUNN T R, HOWARD J B, LONGWLL J P, PETERS W A. Product compositions and kinetics in the rapid pyrolysis of milled wood lignin[J]. Ind Eng Chem Process Des Dev, 1985, 24(3):844-852.
|
WANG S, WANG K, LIU Q, GU Y, LUO Z, CEN K, FRANSSON T. Comparison of the pyrolysis behavior of lignins from different tree species[J]. Biotechnol Adv, 2009, 27(5):562-567.
|
JIANG G, NOWAKOWSKI D J, BRIDGWATER A V. A systematic study of the kinetics of lignin pyrolysis[J]. Thermochim Acta, 2010, 498(1/2):61-66.
|
CABALLERO J A, FONT R, MARCILLA A. Pyrolysis of Kraft lignin:Yields and correlations[J]. J Anal Appl Pyrolysis, 1997, 39(2):161-183.
|
JIANG G, NOWAKOWSKI D J, BRIDGWATER A V. Effect of the temperature on the composition of lignin pyrolysis products[J]. Energy Fuels, 2010, 24(8):4470-4475.
|
HUANG J, LI X, WU D, TONG H, LI W. Theoretical studies on pyrolysis mechanism of guaiacol as lignin model compound[J]. J Renewable Sustainable Energy, 2013, 5(4):043112.
|
BESTE A, BUCHANAN III A C. Computational study of bond dissociation enthalpies for lignin model compounds:Substituent effects in phenethyl phenyl ethers[J]. J Org Chem, 2009, 74(7):2837-2841.
|
CHU S, SUBRAHMANYAM A V, HUBER G W. The pyrolysis chemistry of a β-O-4 type oligomeric lignin model compound[J]. Green Chem, 2013, 35:125-136.
|
BRITT P F, BUCHANAN III A C, COONEY M J, MARTINEAU D R. Flash vacuum pyrolysis of methoxy-substituted lignin model compounds[J]. J Org Chem, 2000, 65(5):1376-1389.
|
王华静, 傅尧, 王晨, 郭庆祥. 环境污染物中碳氯键离解能的理论研究[J]. 化学学报, 2008, 66(3):362-370. (WANG Hua-Jing, FU Yao, WANG Chen, GUO Qing-xiang. Theoretical study of homolytic C-Cl bond dissociation enthalpies of environmental pollutants[J]. Acta Chim Sin, 2008, 66(3):362-370.)
|
SPEYBROECK V V, MARIN G B, WAROQUIER M. Hydrocarbon bond dissociation enthalpies:From substituted aromatics to large polyaromatics[J]. ChemPhysChem, 2006, 7:2205-2214.
|
JOHNSON E R, CLARKIN O J, DILABIO G A. Density functional theory based model calculations for accurate bond dissociation enthalpies. 3. A single approach for X-H, X-X, and X-Y (X, Y=C, N, O, S, Halogen) bonds[J]. J Phys Chem A, 2003, 107(46):9953-9963.
|
张芳沛, 程新路, 刘子江, 胡栋, 刘永刚. 硝酸丙酯键离解能和热解机理的密度泛函理论研究[J]. 高压物理学报, 2005, 19(2):189-192. (ZHANG Fang-pei, CHENG Xin-lu, LIU Zi-jiang, HU Dong, LIU Yong-gang. Density functional studies on the bond dissociation energy and pyrolysis mechanism of propyl nitrate[J]. Chin High Pressure Phys, 2005, 19(2):189-192.)
|
FRISCH M J, TRVCKS G W, SCHLEGEL H B, et al. Gaussian 03[CP]. Gaussian, Inc. Pittsburgh PA, 2003.
|
KIM S, CHMELY S C, NIMLOS M R, BOMBLE Y J, FOUST T D, PATON R S, BECKHAM G T. Computational study of bond dissociation enthalpies for a large range of native and modified lignins[J]. J Phys Chem Lett, 2011, 2(22):2846-2852.
|