Critical review of the global chemical kinetics of cellulose thermal decomposition

Energy and Fuels

Volumn 29, Issue 5, 2015, Pages 2906-2918

  Burnham, Alan K ^a,c   Zhou, Xiaowei ^b   Broadbelt, Linda J ^b  

^a American Shale Oil LLC   (United States)

^b Northwestern University   (United States)

^c NONE   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVATION ENERGY; CELLULOSE; CHEMICAL ANALYSIS; DECOMPOSITION; KINETICS; PYROLYSIS; REACTION KINETICS;

APPARENT ACTIVATION ENERGY; CATALYTIC ACCELERATION; CHEMICAL KINETIC MODEL; FIRST-ORDER REACTION MODEL; INITIATION REACTIONS; MATHEMATICAL APPROACH; MECHANISTIC MODELING; PYROLYSIS TEMPERATURE;

CRACKING (CHEMICAL);

EID: 84930226836     PISSN: 08870624     EISSN: 15205029     Source Type: Journal    
DOI: 10.1021/acs.energyfuels.5b00350     Document Type: Review

References (86)

1. White, J. E.; Catallo, W. J.; Legendre, B. L. Biomass pyrolysis kinetics: A comparative critical review with relevant agricultural residue case studies J. Anal. Appl. Pyrolysis 2011, 91, 1-33
2. Lédé, J. Cellulose pyrolysis kinetics: An historical review on the existence and role of intermediate active cellulose J. Anal. Appl. Pyrolysis 2012, 94, 17-32
3. Lin, Y.-C.; Cho, J.; Tomsett, G. T.; Westmoreland, P. R.; Huber, G. W. Kinetics and mechanism of cellulose pyrolysis J. Phys. Chem. C 2009, 113, 20097-20107
4. Shafizaheh, F. Introduction to pyrolysis of biomass J. Anal. Appl. Pyrolysis 1982, 3, 283-305
5. Diebold, J. P. A unified, global model for the pyrolysis of cellulose Biomass Bioenergy 1994, 7, 75-85
6. Gaur, S.; Reed, T. B. Prediction of cellulose decomposition rates from thermogravimetric data Biomass Bioenergy 1994, 7, 61-67
7. Capart, R.; Zhesami, L.; Burnham, A. K. Assessment of various kinetic models for the pyrolysis of a microgranular cellulose Thermochim. Acta 2004, 417, 79-89
8. Samuelsson, L. N.; Moriana, R.; Babler, M. U.; Ek, M.; Engvall, K. Model-free rate expression for thermal decomposition processes: The case of microcrystalline pyrolysis Fuel 2015, 143, 438-447
9. Laksmanan, C. M.; Gal-Or, B.; Hoelscher, H. E. Production of levoglucosan by pyrolysis of carbohydrates Ind. Eng. Chem. Prod. Res. Devel. 1969, 8, 261-267
10. Lakshmanan, C. M.; Hoelscher, H. E. Production of levoglucosan by pyrolysis of carbohydrates Ind. Eng. Chem. Prod. Res. Devel. 1970, 9, 57-59
11. Yu, Y.; Liu, D.; Wu, H. Characterization of water-soluble intermediates from slow pyrolysis of cellulose at low temperatures Energy Fuels 2012, 26, 7331-7339
12. Gong, X.; Yu, Y.; Gao, X.; Xu, M.; Wu, H. Formation of anhydro-sugars in the primary volatiles and solid residues from cellulose fast pyrolysis in a wire-mesh reactor Energy Fuels 2014, 28, 5204-5211
13. Bradbury, A. G. W.; Sakai, Y.; Shafizadeh, F. A. kinetic model for pyrolysis of cellulose J. Appl. Polym. Sci. 1979, 23, 3271-3280
14. Lin, Y.; Cho, J.; Davis, J. M.; Huber, G. W. Reaction-transport model for the pyrolysis of shrinking cellulose particles Chem. Eng. Sci. 2012, 74, 160-171
15. Miles, C. A.; Burjanadze, T. V. The kinetics of thermal denaturation of collagen in unrestrained rate tail tendon determined by DCS J. Mol. Biol. 1995, 345, 437-446
16. Engel, J.; Bachinger, H. P. Cooperative equilibrium transitions coupled with a slow annealing step explain the sharpness and hysteresis of collagen folding Matrix Biol. 2000, 19, 235-244
17. Miles, C. A.; Bailey, A. J. Response to Engel and Bachinger's critique of collagen denaturation as a rate process Matrix Biol. 2001, 20, 263-265
18. Chen, K.; Baker, A. N.; Vyazovkin, S. Formation and thermal behavior of polystyrene and polystyrene/clay gels Macromol. Chem. Phys. 2008, 209, 2367-2373
19. Vyazovkin, S.; Sbirrazzuoli, N.; Dranca, I. Variation in activation energy of the glass transition for polymers of different dynamic fragility Macromol. Chem. Phys. 2006, 207, 1126-1130
20. Braun, R. L.; Rothman, A. J. Oil-shale pyrolysis: kinetics and mechanism of oil production Fuel 1975, 54, 129-131
21. Miknis, F. P; Turner, T. F. The bitumen intermediate in isothermal and nonisothermal decomposition of oil shales. In Composition, Geochemistry and Conversion of Oil Shales; Snape, C., Ed.; NATO ASI Series, Vol. 455, Kluwer: Dordrecht, 1995; pp 295-311.
22. Ziegel, E. R.; Gorman, J. W. Kinetic modeling with multiresponse data Technometrics 1980, 22, 139-151
23. Johnson, W.; Mehl, R. Reaction kinetics in processes of nucleation and growth Trans. AIME 1939, 135, 416-442
24. Avrami, M. Kinetics of phase change. I. General theory J. Chem. Phys. 1939, 7, 1103-1112
25. Avrami, M. Kinetics of phase change. II. Transformation-time relation for random distribution of nuclei J. Chem. Phys. 1940, 8, 212-224
26. Avrami, M. Kinetics of phase change. III. Granulation, phase change, and microstructure J. Chem. Phys. 1940, 8, 177-184
27. Erofe'ev, B. V. C. R. Dokl. Akad. Sci. USSR 1946, 52, 511-514
28. Kolmogorov, A. A statistical theory for the recrystallization of metals Akad. Nauk. SSSR, Izv. Ser. Matem. 1937, 1, 355-359
29. Šesták, J.; Berggren, G. Study of the kinetics of the mechanism of solid-state reactions at increasing temperatures Thermochim. Acta 1971, 3, 1-12
30. Brown, M. E. The Prout-Tompkins rate equation in solid-state kinetics Thermochim. Acta 1997, 300, 93-106
31. Burnham, A. K.; Braun, R. L.; Coburn, T. T.; Sandvik, E. I.; Curry, D. J.; Schmidt, B. J.; Noble, R. A. An appropriate kinetic model for well-preserved algal kerogens Energy Fuels 1996, 10, 49-59
32. Austin, J. B.; Rickett, R. L. Kinetics of the decomposition of Austenite at constant temperature, AIME Technical publication 964, 1938, 20 pp Trans. AIME 1939, 135, 396-415
33. Prout, E. G.; Tompkins, F. C. The thermal decomposition of silver permanganate Trans. Far. Soc. 1946, 42, 468-472
34. Erofe'ev, B. V. In Reactivity of Solids, Proceedings of the 4th International Symposium; Amsterdam, 1960; Elsevier: Amsterdam, 1961; pp 273-282.
35. Burnham, A. K.; Weese, R. K.; Wemhoff, A. P.; Maienshein, J. L. A historical and current perspective on predicting thermal cookoff behavior J. Therm. Anal. Calorim. 2007, 89, 407-415
36. Rice, F. O.; Herzfeld, K. F. The thermal decomposition of organic compounds from the standpoint of free radicals. VI. The mechanism of some chain reactions J. Am. Chem. Soc. 1934, 56, 284-289
37. Flynn, J. H.; Florin, R. E. Degradation and pyrolysis mechanisms. In Pyrolysis and GC in Polymer Analysis; Liebman, S. A.; Levy, E. J., Eds.; Marcel Dekker: New York, 1985; pp 149-208.
38. Sanchez-Jimenez, P. E.; Perez-Maqueda, L. A.; Perejon, A.; Criado, J. M. A new model for the kinetic analysis of thermal degradation of polymers driven by random scission Polym. Degrad. Stab. 2010, 95, 733-739
39. Simha, R.; Wall, L. A. Kinetics of chain depolymerization J. Phys. Chem. 1952, 56, 707-715
40. Gotor, F. J.; Craido, J. M.; Malek, J.; Koga, N. Kinetic analysis of solid-state reactions: The universality of master plots for analyzing isothermal and nonisothermal experiments J. Phys. Chem. A 2000, 104, 10777-10782
41. Vyazovkin, S.; Burnham, A. K.; Criado, J. M.; Perez-Maqueda, L. A.; Popescu, C.; Sbirrazzuoli, N. ICTAC recommendations for performing kinetic computations on thermal analysis data Thermochim. Acta 2011, 520, 1-19
42. Kissinger, H. E. Reaction kinetics in differential thermal analysis Anal. Chem. 1957, 29, 1702-1706
43. Braun, R. L.; Burnham, A. K. Analysis of chemical reaction kinetics using a distribution of activation energies and simpler models Energy Fuels 1987, 1, 153-161
44. Burnham, A. K. Application of the Šesták -Berggren equation to organic and inorganic materials of practical interest J. Therm. Anal. Calorim. 2000, 69, 895-908
45. Burnham, A. K.; Braun, R. L.; Taylor, R. W.; Coburn, T. T. Comparison of isothermal and nonisothermal pyrolysis data with various rate mechanisms: Implications for kerogen structure Prep. ACS Div. Petrol. Chem. 1989, 34 (1) 36-41
46. Burnham, A. K.; Clarkson, J. E.; Singleton, M. F.; Wong, C. M.; Crawford, R. W. Biological markers from Green River kerogen decomposition Geochim. Cosmochim. Acta 1982, 46, 12443-1251
47. Paulsen, A. D.; Mettler, M. S.; Dauenhauer, P. J. The role of sample dimension and temperature on cellulose pyrolysis Energy Fuels 2013, 27, 2126-2134
48. Burnham, A. K.; Braun, R. L.; Gregg, H. R.; Samoun, A. M. Comparison of methods for measuring kerogen pyrolysis rates and fitting kinetic parameters Energy Fuels 1987, 1, 452-458
49. Peters, K. E.; Burnham, A. K.; Walters, C. C. Petroleum generation kinetics: one- vs. multiple-heating ramp open-system pyrolysis AAPG Bull. 2015, 99, 591-616
50. Burnham, A. K. Obtaining reliable phenomenological chemical kinetic models for real-world applications Thermochim. Acta 2014, 597, 35-40
51. Vyazovkin, S.; Chrissafis, K.; Di Lorenzo, M. L.; Koga, N.; Pijolet, M.; Roduit, B.; Sbirrazzouli, N.; Sunol, J. J. ICTAC Kinetics Committee recommendations for collecting thermal analysis data for kinetic computations Thermochim. Acta 2014, 590, 1-23
52. Lyon, R. E.; Safronava, N.; Senese, J.; Stoliarov, S. I. Thermokinetic model of sample response in nonisothermal analysis Thermochim. Acta 2012, 545, 82-89
53. Burnham, A. K.; Weese, R. K. Thermal Decomposition Kinetics of HMX; LLNL Report UCRL-TR-204262-Rev-1; Lawrence Livermore National Laboratory: Livermore, CA, 2004; https://e-reports-ext.llnl.gov/pdf/314135.pdf.
54. Antal, M. J.; Varhegyi, G.; Jakab, E. Cellulose pyrolysis kinetics: revisited Ind. Eng. Chem. Res. 1998, 37, 1267-1275
55. Grønli, M.; Antal, M. J.; Varhegyi, G. A round-robin study of cellulose pyrolysis kinetics by thermogravimetry Ind. Eng. Chem. Res. 1999, 38, 2238-2244
56. Antal, M. J.; Varhegyi, G. Cellulose pyrolysis kinetics: The current state of knowledge Ind. Eng. Chem. Res. 1995, 34, 703-717
57. Narayan, R.; Antal, M. J. Thermal lag, fusion, and the compensation effect during biomass pyrolysis Ind. Eng. Chem. Res. 1996, 35, 1711-1721
58. Dollimore, D.; Evans, T. A.; Lee, Y. F.; Wilburn, F. W. Correlation between the shape of a TG/DTG curve and the form of the kinetic mechanism which is applying Thermochim. Acta 1992, 198, 249-257
59. Sanchez-Jimenez, P. E.; Perez-Maqueda, L. A.; Perejon, A.; Pascual-Cosp, J.; Benitez-Guerrero, M.; Criado, J. M. An improved model for the kinetic description of the thermal degradation of cellulose Cellulose 2011, 18, 1487-1498
60. Sanchez-Jimenez, P. E.; Perez-Maqueda, L. A.; Perejon, A.; Criado, J. M. Generalized masterplots as a straightforward approach for determining the kinetic model: The case of cellulose pyrolysis Thermochim. Acta 2013, 552, 54-59
61. Kim, S.; Eom, Y. Estimation of kinetic triplet of cellulose pyrolysis reaction from isothermal kinetic results Kor. J. Chem. Eng. 2006, 23, 409-414
62. Barud, H.; Riberio, C.; Capella, J.; Crespi, M. S.; Ribeiro, S.; Messadeq, Y. Kinetic parameters for thermal decomposition of microcrystalline, vegetal, and bacterial cellulose J. Therm. Anal. Calorim. 2011, 105, 421-426
63. Matsuoka, S.; Kawamoto, H.; Saka, S. What is active cellulose in pyrolysis? An approach based on reactivity of cellulose reducing end J. Anal. Appl. Pyrolysis 2014, 106, 138-146
64. Dollimore, D.; Holt, B. Thermal degradation of cellulose in nitrogen J. Polym. Sci. 1973, 11, 1703-1711
65. Reynolds, J. G.; Burnham, A. K. Pyrolysis decomposition kinetics of cellulose-based materials by constant heating rate micropyrolysis Energy Fuels 1997, 11, 88-97
66. Ungerer, P.; Pelet, R. Extrapolation of the kinetics of oil and gas formation from laboratory experiments to sedimentary basins Nature 1987, 327, 52-54
67. Vyazovkin, S.; Wight, C. A. Isothermal and nonisothermal kinetics in solids: In search of ways toward consensus J. Phys. Chem. A 1997, 101, 8279-8284
68. Vyazovkin, S.; Wight, C. A. Kinetics in solids Annu. Rev. Phys. Chem. 1997, 48, 125-149
69. Brown, M. E.; Maciejewski, M.; Vyazovkin, S.; Nomen, R.; Sempere, J.; Burnham, A. Computational Aspects of Kinetic Analysis. Part A: The ICTAC Kinetics Project-data, methods and results Thermochim. Acta 2000, 355, 125-143
70. Bai, X.; Brown, R. C. Modeling the physiochemistry of levoglucosan during cellulose pyrolysis J. Anal. Appl. Pyrolysis 2014, 105, 363-368
71. Di Blasi, C. Numerical simulation of cellulose pyrolysis Biomass Bioenergy 1994, 7, 87-98
72. Zhang, X.; Yang, W.; Blasiak, W. Thermal decomposition mechanism of levoglucosan during cellulose pyrolysis J. Anal. Appl. Pyrolysis 2012, 96, 110-119
73. Patwardhan, P. R.; Dalluge, D. L.; Shanks, B. H.; Brown, R. C. Distinguishing primary and secondary reactions of cellulose pyrolysis Bioresour. Technol. 2011, 102, 5265-5269
74. Mayes, H. B.; Broadbelt, L. H. Unraveling the reactions that unravel cellulose J. Phys. Chem. A 2012, 116, 7098-7106
75. Agarwal, V.; Dauenhauer, P. J.; Huber, G. W.; Auerbach, S. M. Ab initio dynamics of cellulose pyrolysis: Nascent decomposition pathways at 327 and 600 °C J. Am. Chem. Soc. 2012, 134, 14958-14972
76. Zhou, X.; Nolte, M. W.; Mayes, H. B.; Shanks, B. H.; Broadbelt, L. J. Experimental and mechanistic modeling of fast pyrolysis of neat glucose-based carbohydrates. 1. Experiments and development of a detailed mechanistic model Ind. Eng. Chem. Res. 2014, 53, 13274-13289
77. Zhou, X.; Nolte, M. W.; Shanks, B. H.; Broadbelt, L. J. Experimental and mechanistic modeling of fast pyrolysis of neat glucose-based carbohydrates. 2. Validation and evaluation of the mechanistic model Ind. Eng. Chem. Res. 2014, 53, 13290-13301
78. Seshadri, V.; Westmoreland, P. R. Concerted reactions and mechanism of glucose pyrolysis and implications for cellulose kinetics J. Phys. Chem. A 2012, 116, 11997-12013
79. Seshadri, V.; Fahey, P. J.; Westmoreland, P. R. Role of pericyclic reactions in the pyrolysis of cellulose and hemicellulose, Paper ENFL-133, 248th National Meeting of the American Chemical Society, San Francisco, CA, August 2014.
80. Friedman, H. L. Kinetics of thermal degradation of char-forming plastics from thermogravimetry. Application to a phenolic plastic. J. Polym. Sci., Part C 1964, No. 6, 183-195.
81. Zhang, J.; Nolte, M. W.; Shanks, B. H. Investigation of primary reactions and secondary effects from the pyrolysis of different celluloses ACS Sustainable Chem. Eng. 2014, 2, 2820-2830
82. Burnham, A. K.; Braun, R. L. Development of a detailed model of petroleum formation, destruction, and expulsion from lacustrine and marine source rocks Org. Geochem. 1990, 16, 27-39
83. Walters, C. C.; Freund, H.; Keleman, S. R.; Peczak, P.; Curry, D. J. Predicting oil and gas compositional yields via chemical structure-chemical yield modeling (CS-CYM): Part 2-Application under laboratory and geologic conditions Org. Geochem. 2007, 38, 306-322
84. Jackson, K. J.; Burnham, A. K.; Braun, R. L.; Knauss, K. G. Temperature and pressure dependence of n -hexadecane cracking Org. Geochem. 1995, 23, 941-953
85. Burnham, A. K.; Sanborn, R. H.; Gregg, H. R. Thermal dealkylation of dodecylbenzene and dodecylcyclohexane Org. Geochem. 1998, 28, 755-758
86. Burnham, A. K.; Weese, R. K.; Andrzejewski, W. J. Kinetics of HMX and CP decomposition and their extrapolation for lifetime assessment. In 36th Intl. Annual Conference and 32nd International Pyrotechnics Seminar, Karlsruhe, Germany, June 28-July 1, 2005. Also, Lawrence Livermore National Laboratory Report UCRL-CONF-210589, 2005.