Rationale and fallacy of thermoanalytical kinetic patterns: How we model subject matter

Journal of Thermal Analysis and Calorimetry

Volumn 110, Issue 1, 2012, Pages 5-16

  Sestak J ^a  

^a UNIVERSITY OF WEST BOHEMIA   (Czech Republic)

Author keywords

DTA; Evaluation; Fractals; Geometrical modeling; Heat inertia; Misinterpretation; Nonisothermal kinetics; Reaction mechanism

Indexed keywords

EVALUATION; GEOMETRICAL MODELING; HEAT INERTIA; MISINTERPRETATION; NON-ISOTHERMAL KINETIC; REACTION MECHANISM;

DIFFERENTIAL THERMAL ANALYSIS; FRACTALS; GEOMECHANICS; INTEGRAL EQUATIONS; KINETIC THEORY; REACTION KINETICS;

KINETICS;

EID: 84867563505     PISSN: 13886150     EISSN: None     Source Type: Journal    
DOI: 10.1007/s10973-011-2089-1     Document Type: Conference Paper

References (115)

1. Šesták J. Philosophy of non-isothermal kinetics. J Therm Anal. 1979;16:520-603.
2. Šesták J. Mystery of derivatives in the nonisothermal rate equation. Thermochim Acta. 1985;83:391-4.
3. Šesták J. Nonisothermal kinetics: art, debate or applied science. J Therm Anal. 1988;33:1263-7.
4. Šesták J. Plenary lectures: nonisothermal kinetics. In: Wiedemann HG, editors. The proceedings: thermal analysis, conference 3rd ICTA in Davos, Birghausser, Basel; 1972. p. 3-9.
5. Šesták J. Rationale and fiction of thermochemical kinetics. In: Vitez I, editor. The proceedings: the 34th conference of North American Thermal Analysis Society, Bowling Green; 2006. p. 68-9.
6. Šestak J. Citation records and some forgotten anniversaries in thermal analysis. J Therm Anal Calorim. 2011 (in press). doi: 10.1007/s10973-011-1625-3.
7. Šatava V. Utilization of thermographic methods for studying reaction kinetics. Silikáty (Prague). 1961;1:68-72. (in Czech).
8. Proks I. Influence of pace of temperature increase on the quantities important for the evaluation of DTA curves. Silikaty (Prague). 1961;1:114-21 (in Czech).
9. Šesták J. Temperature effects influencing kinetic data accuracy obtained by thermographic measurements under constant heating. Silikaty (Prague). 1963;7:125-31 (in Czech).
10. Garn PD. Thermoanalytical methods of investigation. New York: Academic; 1965.
11. Flynn JH, Wall LA. General treatment of the thermogravimetry of polymers. J Res Nat Bur Stand. 1966;70A:487.
12. Šesták J. Review of kinetic data evaluation from nonisothermal and isothermal data. Silikáty (Prague). 1967;11:153-90 (in Czech).
13. Murgulescu JG, Segal E. Reviewing kinetic data evaluations by thermal analysis. St Cerc Chim Tom (Bucharest). 1967;15:261 (in Romanian).
14. Šesták J. Thermophysical properties of solids: their measurements and theoretical thermal analysis. Amsterdam: Elsevier; 1984 and Teoretičeskij termičeskij analyz. Mir, Moscow; 1987 (in Russian).
15. Chvoj Z, Šesták J, Tříska A, editors. Kinetic phase diagrams: nonequilibrium phase transitions. Amsterdam: Elsevier; 1991.
16. Šesták J, editor. Reaction kinetics by thermal analysis. Special issue of Thermochim Acta, vol. 203. Amsterdam: Elsevier; 1992.
17. Šesták J, Sorai M, editors. Transition phenomena in condensed matter. Special issue of Thermochim Acta, vol. 266. Amsterdam: Elsevier; 1995.
18. Šesták J. Heat, thermal analysis and society. Nucleus, Hradec Králové; 2004.
19. Šesták J. Science of heat, thermophysical studies a generalized approach to thermal analysis. Amsterdam: Elsevier; 2005.
20. Šesták J. Some model classification of geometrical bodies and their development in historical applications. In: Wittwer A, Knut E, Pliska V, Folker G, editors. Approaching scientific knowledge. Zurich: Collegieum Helveticum; 2008. p. 87-91.
21. Penrose R. Shadow of the mind: approach to the missing science of consciousness. Oxford: Oxford University Press; 1994.
22. Penrose R. The road to reality: a complete guide to the laws of the Universe. London: Vintage; 2004.
23. Šesták J, Zámečník J. Can clustering of liquid water be of assistance for better understanding of biological germplasm exposed to cryopreservation. J Therm Anal Calorim. 2007;8:411-9.
24. Barrow JD. The origin of the universe. Orion, London 1994, impossibility limits of science and science of limits. New York: Vintage; 1999.
25. Šesták J, Chvoj Z. Irreversible thermodynamics and true thermal dynamics in view of generalized solid-state reaction kinetics. Thermochim Acta. 2002;388:427-31.
26. Jacobs PWM, Tompkins FC. Classification and theory of solid reactions. In: Garner WE, editor. Chemistry of the solid state. London: Butterworth; 1955. p. 184-212.
27. Young DA. Decomposition of solids. In: Tompkins FC, editor. Solid and surface kinetics. Oxford: Pergamon; 1966. p. 43-144.
28. Johnson WA, Mehl RF. Reaction kinetics in processes of nucleation and growth. Trans Am Inst Min Metal Petro Eng. 1939;135:416; reprinted in Metall Mater Trans A. 2010;41A:2713-75.
29. Hulbert HF. Models for solid-state reactions in powdered compacts: a review. J Br Ceram Soc. 1969;6:11-20.
30. Brown ME, Dollimore D, Galway AK. Reactions in the solid-state. In: Bamford CH, Tipper CFH, editors. Comprehensive chemical kinetics, vol. 22. Amsterdam: Elsevier; 1980.
31. Galwey AK, Brown ME. Thermal decomposition of ionic solids. Amsterdam: Elsevier; 1999.
32. Málek J, Criado JM, Šesták J, Militký J. The boundary conditions for kinetic models. Thermochim Acta. 1989;153:429-32.
33. Málek J, Mitsuhashi T, Criado JM. Kinetic analysis of solid-state processes. J Mater Res. 2001;16:1862-71.
34. Šesták J, Málek J. Diagnostic limits of phenomenological models of heterogeneous reactions and thermoanalytical kinetics. Solid State Ion. 1993;63/65:254-9.
35. Vyazovkin S, Wight CA. Kinetic concepts of thermally stimulated reactions in solids: a view from a historical perspective. Int Rev Phys Chem. 2000;19:45-60.
36. Mamleev V, Bourbigot S, LeBras M, Duquesne S, Šesták J. Modeling of nonisothermal kinetic mechanism in thermogravimetry. Phys Chem Chem Phys. 2000;2:4708-16.
37. Koga N, Šesták J. TA kinetics and physical-geometry of the nonisothermal crystallization. Bull Soc Espaňa Cer Vidro. 1992;31:185-9.
38. Koga N. Physico-geometric kinetics of solid-state reactions as exemplified by thermal dehydration. J Therm Anal. 1997;49:45-56.
39. Koga N, Tanaka H. A physico-geometric approach to the kinetics of solid-state reactions. Thermochim Acta. 2002;388:41-61.
40. Khawam A, Flanagan DR. Solid-state kinetic models: basics and mathematical fundamentals. J Phys Chem B. 2006;110:17315-28.
41. Kimura T, Koga N. Thermal dehydration of monohydrocalcite: overall kinetics and physico-geometrical mechanisms. J Phys Chem A. 2011;115:10491-501.
42. Koga N, Šesták J, Šimon P. Some fundamental and historical aspects of phenomenological kinetics. In: Šesták J, Šimon P, editors. Thermal analysis of micro-, nano- and non-crystalline materials, Chap. 1. New York: Springer; 2012 (in press). ISBN 978-90-481-3149-5.
43. Smith CS. Microstructure and geometry. Trans Am Soc Metals. 1953;45:533-75.
44. Smith CS. Some elementary principles of polycrystalline microstructure. Metal Rev. 1964;9:1-17.
45. Pfeifer O. Macromolecules and colloidal aggregatesfractal dimension as concealed symmetry of irregular structures. Chimia. 1985;39:120.
46. Avnir D, Farin D, Pfeifer P. Molecular fractal surfaces. Nature. 1984;308:261-3.
47. Avnir D. Fractal approach to heterogeneous chemistry. New York: Wiley; 1989.
48. Kopelman R. Fractal reaction kinetics. Science. 1988;241:620-5.
49. Schröde M. Fractals, chaos and power laws. New York: Freeman; 1991.
50. Šesták J. The role of order and disorder in thermal and material sciences part 1: heat and society. J Mining Metal. 2002;38:1-22.
51. Šesták J. The role of order and disorder in thermal and material sciences part 2: scientific world and new insights. J Mining Metal. 2003;39:1-7.
52. Glicksman E. Free dendritic growth. Mater Sci Eng. 1984;65:45-54.
53. Lipton J, Glicksman ME, Kurz W. Dendritic growth into undercooled alloy melts. Mater Sci Eng. 1984;65:57-64.
54. Roduner E, Cronin L. Nanoscopic materials: size-dependent phenomena. Cambridge: RSC-publ; 2006 & 2007. IBSN 978-1-84755-763-6.
55. Zhang Z, Li JC, Jiang Q. Modeling for size-dependent and dimension-dependent melting of nanocrystals. J Phys D. 2000;33:2653-6.
56. Guisbiers G, Buchaillot L. Universal size/shape-dependent law for characteristic temperatures. Phys Lett A. 2009;374:305-8.
57. Barnard AS. Modelling of nanoparticles: approaches to morphology and evolutiona review. Rep Prog Phys. 2010;73:6502-54.
58. Elliot RS. Eutectic solidification processing: crystalline and glassy alloys. London: Butterworth; 1989.
59. Alexander S, Orbach R. Density of states on fractalsfractons. J Phys Lett. 1982;43:L625.
60. Bonde A, Havlin S. Fractals and disordered systems. Berlin: Springer; 1991.
61. Peitgen HO, Jurgen H, Saupe D. Chaos and fractals: new frontiers of science. New York: Springer; 1992.
62. Mandelbrot BB. Gaussian self-similarity, fractals, globallity and 1/f noise. New York: Springer; 2002.
63. Falcone K. Fractal geometry. Chichester: Wiley; 2003.
64. Prout EG, Tompkins FC. The thermal decomposition of potassium permanganate. Trans Faraday Soc. 1944;40:488-98.
65. Ng WL. Thermal decomposition in the solid state. Aust J Chem. 1975;28:1169-78.
66. Šesták J, Berggren G. Study of the kinetics of the mechanism of solid-state reactions at increasing temperature. Thermochim Acta. 1971;3:1-13.
67. Málek J, Criado JM. Is the Šesták-Berggren equation a general expression of kinetic models? Thermochim Acta. 1991;175:305-9.
68. Šimon P. Forty years of Šesták-Berggren equation. Thermochim Acta. 2011. doi: 10.1016/j.tca.2011.03.030.
69. Heal GR. Explanation of the Šestak-Berggren equation. Unpublished communication; 2011.
70. Yerofeev BV. Reaction rate of processes involving solids with different specific surfaces. In: The proceedings: 4th international symposium reactivity of solids. Amsterdam: Elsevier; 1961. p. 273-82.
71. Málek J. Crystallization kinetics by thermal analysis. J Therm Anal Calorim. 1999;56:763-9.
72. Málek J. Kinetic analysis of crystallization processes in amorphous materials. Thermochim Acta. 2000;355:239-53.
73. Šesták J, Kratochvil. Rational approach to thermodynamic processes and constitutive equations in kinetics. J Therm Anal. 1973;5:193-201.
74. Šesták J. Thermodynamic basis for the theoretical description and correct interpretation of thermoanalytical experiments. Thermochim Acta. 1979;28:197-227.
75. Holba P, Šesták J. Kinetics with regard to the equilibrium of processes studied by non-isothermal techniques. Zeit physik Chem NF. 1972;80:1-20.
76. Šesták J. Key lecture: integration of nucleation-growth equation when considering non-isothermal regime and shared phase separation. In: Dolimore D, editor, The 2nd ESTAC (Europ. symp. on thermal analysis) in proc. thermal analysis, Heyden, London; 1981. p. 115-20.
77. Hiller R, editor. Application of fractional calculus in physics. River Edge: World Science; 2000.
78. Milledr KS, Ross B. Introduction to the fractional calculus and fractional differential equations. New York: Wiley; 1993.
79. Fleschinger MF, Zaslavsky GM, Klaufter J. Strange kinetics. Nature. 1993;363:31-3.
80. Galwey AK, Brown ME. Application of the Arrhenius equation to solid-state kinetics: can this be justified? Thermochim Acta. 2002;386:91-8.
81. Galwey AK. Eradicating erroneous Arrhenius arithmetic. Thermochim Acta. 2003;399:1-29.
82. Galwey AK. Theory of solid-state thermal decomposition: scientific stagnation or chemical catastrophe? An alternative approach apprised and advocated. Unpublished communication; 2011.
83. L'vov BV. Thermal decomposition of solids and melts: a new thermochemical approach to the mechanism, kinetics and methodology. Berlin: Springer; 2007.
84. Kissinger HE. Reaction kinetics in differential thermal analysis. Anal Chem. 1957;29:1702-6.
85. Šesták J. On the applicability of π(x)-function to the determination of reaction kinetics under nonisothermal conditions. Thermochim Acta. 1971;3:150-4.
86. Henderson DW. Experimental analysis of nonisothermal transformations involving nucleation and growth. J Therm Anal. 1979;15:325-31.
87. Kemeny J, Šesták J. Comparison of crystallization kinetic theories derived by isothermal and nonisothermal methods. Thermochim Acta. 1987;110:113-9.
88. Broido A, Williams AF. Use of asymptotic analysis of the large activation energy limit to compare various graphical methods of treating TG data. Thermochim Acta. 1970;6:245-53.
89. Moynihan CT. Correlation between the width of the glass-transition region and the temperature dependence of glass viscosity. J Am Ceram Soc. 1993;76:1081-8.
90. Šesták J. Applicability of DTA to study of crystallization kinetics of glasses. Phys Chem Glass. 1974;15:137-40.
91. Christian JW. Theory of transformations in metals and alloys. Oxford: Pergamon; 1975.
92. Málek J, Šesták J, Rouquerol F, Rouquerol J, Criado JM, Ortega A. Possibilities of two non-isothermal procedures (temperature-and/or rate-controlled) for kinetic studies. J Therm Anal. 1992;38:71-87.
93. Criado JM, Gotor FJ, Ortega A, Real C. New method of CRTA-application to discrimination of the kinetic models of solid-state reactions. Thermochim Acta. 1992;199:235-8.
94. Koga N, Tanak H, Criado JM. Kinetic analysis of inorganic solid-state reactions by CRTA. Netsu Sokutei (Jap J Therml Anal). 2000;27:128-40.
95. Koga N. A review of the emutual dependence of Arrhenius parameters evaluated by the thermoanalytical study of solid-state reactions: the kinetic compensation effect. Thermochim Acta. 1994;244:1-10.
96. Koga N. Kinetic analysis of thermoanalytical data by extrapolating to infinite temperature. Thermochim Acta. 1995;258:145-9.
97. Šesták J, Mareš JJ, Krištofik J, Hubík P. True physical meaning of the so called kinetic compensation effect. Glastech Ber Glass Sci Technol. 2000;73(C1):104-8.
98. Galwey AK, Mortimer M. Compensation effects and compensation defects in kinetic and mechanistic interpretations of heterogeneous chemical reactions. Int J Chem Kinet. 2006;38:464-73.
99. Šesták J, Strnad Z. Simulation of DTA crystallization peak on basis of nucleation-growth curves determined by optical microscopy. In: Gotz J, editor, The proceedings: XI inter. congress on glass, DT CVTS, Vol. II, Prague; 1977. p. 249-61.
100. Málek J, Zmrhalová Z, Barták J, Honcová P. A novel method to study crystallization of glasses. Thermochim Acta. 2010;511:67-73.
101. Málek, J, Shánělová J. Crystallization kinetics in amorphous materials studied by means of calorimetry, microscopy and dilatometry. In: Šesták J, Šimon P, editors. Thermal analysis of micro-, nano- and non-crystalline materials, Chap. 14. New York: Springer; 2012 (in press). ISBN 978-90-481-3149-5.
102. Dubaj T, Cibulková Z, Šimon P. Justification of the use of non-Arrhenian temperature functions, prepared for publication 2012.
103. Šimon P. Single-step kinetics approximation employing non-Arrhenius temperature functions. J Therm Anal Calorim. 2005;79:703.
104. Šimon P. The single-step approximation: attributes, strong and weak sides. J Therm Anal Calorim. 2007;88:709-15.
105. Serra R, Nomen R, Sempere J. Non-parametric kinetics: a new method for kinetic study. J Therm Anal Calorim. 1998;52:933.
106. Vyazovkin S. Model-free kinetics: staying free of multiplying entities without necessity. J Therm Anal Calorim. 2006;83:45.
107. Šesták J, Holba P. Theory of thermoanalytical methods based on the indication of enthalpy changes. Silikáty (Prague). 1976;29:83-8. (in Czech).
108. Šesták J, Holba P, Lombardi G. Quantitative evaluation of thermal effects: theoretical basis of DTA/DSC. Annali di Chimica (Roma). 1977;67:73-9.
109. Nevřiva M, Holba P, Šesták J. Utilization of DTA for the determination of transformation heats. Silikaty (Prague). 1976;29:33-8. (in Czech).
110. Holba P, Nevřiva M, Šesták J. Analysis of DTA curve and related calculation of kinetic data using computer technique. Thermochim Acta. 1978;23:223-31.
111. Holba P, Šesták J, Sedmidubsky D. Heat transfer and phase transition at DTA experiments. In: Šesták J, Šimon P, editors. Thermal analysis of micro-, nano- and non-crystalline materials, Chap. 4. New York: Springer; 2012 (in press). ISBN 978-90-481-3149-5.
112. Höhne GWH, Hemminger W, Flammersheim HJ. Differential scanning calorimetry. Dordrecht: Springer; 2003.
113. Brown ME, Gallagher PK, editors. Handbook of thermal analysis and calorimetry. Amsterdam: Elsevier; 2008.
114. Gabbott G, editor. Principles and application of thermal analysis. Oxford: Blackwell; 2008.
115. Boerio-Goates J, Callen JE. Differential thermal methods. In: Rossiter BW, Beatzold RC, editors. Determination of thermodynamic properties. New York: Wiley; 1992. p. 621-718.