Fast pyrolysis of guaiacol to simple phenols: Experiments, theory and kinetic model
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Amen-Chen, 2001, Production of monomeric phenols by thermochemical conversion of biomass: a review, Bioresour. Technol., 79, 277, 10.1016/S0960-8524(00)00180-2
Asmadi, 2011, Thermal reactions of guaiacol and syringol as lignin model aromatic nuclei, J. Anal. Appl. Pyrol., 92, 88, 10.1016/j.jaap.2011.04.011
Batt, 1979, The gas phase decomposition of alkoxy radicals, Int. J. Chem. Kinet., 11, 977, 10.1002/kin.550110905
Baulch, 1994, Evaluated kinetic data for combustion modelling, J. Phys. Chem. Ref. Data, 23, 847, 10.1063/1.555953
Beste, 2009, Computational study of bond dissociation enthalpies for lignin model compounds. Substituent effects in phenethyl phenyl ethers, J. Org. Chem., 74, 2837, 10.1021/jo9001307
Beste, 2010, Substituent effects on the reaction rates of hydrogen abstraction in the pyrolysis of phenethyl phenyl ethers, Energy Fuels, 24, 2857, 10.1021/ef1001953
Beste, 2008, Computational prediction of α/β selectivities in the pyrolysis of oxygen-substituted phenethyl phenyl ethers, J. Phys. Chem. A, 112, 4982, 10.1021/jp800767j
Britt, 2000, Flash vacuum pyrolysis of methoxy-substituted lignin model compounds, J. Org. Chem., 65, 1376, 10.1021/jo991479k
Choi, 2016, Pyrolysis reaction networks for lignin model compounds: unraveling thermal deconstruction of β-O-4 and α-O-4 compounds, Green Chem., 18, 1762, 10.1039/C5GC02268A
Dorrestijn, 2000, The occurrence and reactivity of phenoxyl linkages in lignin and low rank coal, J. Anal. Appl. Pyrol., 54, 153, 10.1016/S0165-2370(99)00082-0
Dorrestijn, 1999, The radical-induced decomposition of 2-methoxyphenol, J. Chem. Soc. Perkin Trans., 2, 777, 10.1039/a809619h
Elder, 2014, Density functional theory study of the concerted pyrolysis mechanism for lignin models, Energy Fuels, 28, 5229, 10.1021/ef5013648
Frisch, 2016
Furutani, 2017, Theoretical study on the kinetics of thermal decomposition of guaiacol and catechol, J. Phys. Chem. A, 121, 8495, 10.1021/acs.jpca.7b08112
He, 1988, Kinetics of hydrogen and hydroxyl radical attack on phenol at high temperatures, J. Phys. Chem., 92, 2196, 10.1021/j100319a023
Huang, 2015, Pyrolysis mechanism of α-O-4 linkage lignin dimer: a theoretical study, J. Anal. Appl. Pyrol., 113, 655, 10.1016/j.jaap.2015.04.012
Huang, 2013, Studies on pyrolysis mechanism of syringol as lignin model compound by quantum chemistry, J. Fuel Chem. Technol., 41, 657, 10.1016/S1872-5813(13)60031-6
Huang, 2013, Theoretical studies on pyrolysis mechanism of guaiacol as a lignin model compound, J. Renew. Sust. Energy, 5, 043112, 10.1063/1.4816497
Huang, 2011, Theory studies on pyrolysis mechanism of phenethyl phenyl ether, Comput. Theor. Chem., 976, 51, 10.1016/j.comptc.2011.08.001
Huang, 2014, Density functional theory studies on pyrolysis of β-O-4 type lignin dimer model compound, J. Anal. Appl. Pyrol., 109, 98, 10.1016/j.jaap.2014.07.007
Huang, 2015, A computational study on thermal decomposition mechanism of β-1 linkage lignin dimer, Comput. Theor. Chem., 1054, 80, 10.1016/j.comptc.2014.12.007
Ince, 2017, Group additive modeling of substituent effects in monocyclic aromatic hydrocarbon radicals, AIChE J., 63, 2089, 10.1002/aic.15588
Kim, 2011, Computational study of bond dissociation enthalpies for a large range of native and modified lignins, J. Phys. Chem. Lett., 2, 2846, 10.1021/jz201182w
Liu, 2016, Study on pyrolysis mechanism of three guaiacyl- type lignin monomeric model compounds, J. Anal. Appl. Pyrol., 118, 123, 10.1016/j.jaap.2016.01.007
Liu, 2003, Theoretical study and rate constant calculation of the CH2O+CH3 reaction, J. Chem. Phys., 119, 7214, 10.1063/1.1605938
Liu, 2014, Study of guaiacol pyrolysis mechanism based on density functional theory, Fuel Process. Technol., 123, 159, 10.1016/j.fuproc.2014.01.002
Mulcahy, 1963, Reaction of phenoxy radicals with methyl radicals in the gaseous phase, Nature, 199, 761, 10.1038/199761a0
Mullen, 2010, Catalytic pyrolysis-GC/MS of lignin from several sources, Fuel Process. Technol., 91, 1446, 10.1016/j.fuproc.2010.05.022
Nair, 2016, Production of guaiacols via catalytic fast pyrolysis of alkali lignin using titania, zirconia and ceria, J. Anal. Appl. Pyrol., 119, 31, 10.1016/j.jaap.2016.03.020
Nowakowska, 2014, Detailed kinetic study of anisole pyrolysis and oxidation to understand tar formation during biomass combustion and gasification, Combustion Flame, 161, 1474, 10.1016/j.combustflame.2013.11.024
Nowakowska, 2018, Kinetic study of the pyrolysis and oxidation of guaiacol, J. Phys. Chem. A, 122, 7894, 10.1021/acs.jpca.8b06301
Nowakowski, 2010, Lignin fast pyrolysis: Results from an international collaboration, J. Anal. Appl. Pyrol., 88, 53, 10.1016/j.jaap.2010.02.009
Parthasarathi, 2011, Theoretical study of the remarkably diverse linkages in lignin, J. Phys. Chem. Lett., 2, 2660, 10.1021/jz201201q
Patwardhan, 2011, Understanding the fast pyrolysis of lignin, ChemSusChem, 4, 1629, 10.1002/cssc.201100133
Pelucchi, 2019, Detailed kinetics of substituted phenolic species in pyrolysis bio-oils, React. Chem. Eng., 4, 490, 10.1039/C8RE00198G
Poutsma, 2000, Fundamental reactions of free radicals relevant to pyrolysis reactions, J. Anal. Appl. Pyrol., 54, 5, 10.1016/S0165-2370(99)00083-2
Proano-Aviles, 2017, Heat and mass transfer in a furnace based micropyrolyzer, Energy Technol., 5, 189, 10.1002/ente.201600279
Resende, 2008, Non-catalytic gasification of lignin in supercritical water, Energy Fuels, 22, 1328, 10.1021/ef700574k
Robichaud, 2016, Pyrolysis mechanisms of lignin model compounds using a heated micro-reactor, 145
Verma, 2016, DFT analyses of reaction pathways and temperature effects on various guaiacol conversion reactions in gas phase environment, Chem. Select, 1, 6196
Vinu, 2012, Unraveling reaction pathways and specifying reaction kinetics for complex systems, Annu. Rev. Chem. Biomol. Eng., 3, 29, 10.1146/annurev-chembioeng-062011-081108
Wang, 2016, Theoretic studies on decomposition mechanism of o-methoxy phenethyl phenyl ether: Primary and secondary reactions, J. Anal. Appl. Pyrol., 117, 325, 10.1016/j.jaap.2015.10.016
Westbrook, 1977, A numerical model of chemical kinetics of combustion in a turbulent flow reactor, J. Phys. Chem., 81, 2542, 10.1021/j100540a036