Abstract
This work introduces a new method of calculations depending on the essential assumptions of the kinetic methods, with the least amount of approximations to find the apparent kinetic parameters calculated for the crystallization of the Se90Te10 powders with heterogeneous particle sizes and shapes under non-isothermal conditions. The apparent kinetic parameters calculated by the new method are compared with that calculated blindly by applying Málek’s method, ignoring its applicability condition of invariant activation energy. The new method is based on the assumption that the kinetic function \(f\left( \alpha \right)\) parameters are independent of the heating rate \(\beta\) and time \(t\), and the fitting temperature function is assumed to be in the approximated form \(K\left( T \right) = K\left( {t,\beta } \right) = ct^{\text{r}} \beta^{\text{s}}\). The exponents \(r\) and \(s\) are calculated isoconversionally, while the constant \(c\) and the kinetic function \(f\left( \alpha \right)\) parameters are calculated by a curve fitting method using a generalized form of the Šesták and Berggren function, considering the steadily and logarithmic acceleration and deceleration of the curve. According to the data in this work, the fitting temperature function can be roughly approximated to the form \(K\left( T \right) \approx c/t\) which work in with the physical dimensions of the rate constant. Moreover, the Arrhenian and the non-Arrhenian parameters, which describe the fitting temperature function \(K\left( T \right)\), are calculated isoconversionally. The deduced parameters work harmonically together to perfectly fit the experimental and the true data.
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Mehta N. Applications of chalcogenide glasses in electronics and optoelectronics: a review. J Sci Ind Res. 2006;65:777–86.
Lyubin V. Chalcogenide glassy photoresists: history of development, properties, and applications. Phys Status Solidi B. 2009;246:1758–67.
Adam JL, Zhang X. Chalcogenide glasses: preparation, properties and applications. Cambridge: Woodhead Publishing; 2014.
Zakery A, Elliott SR. Optical properties and applications of chalcogenide glasses: a review. J Non-Cryst Solids. 2003;330:1–12.
Lacaita AL. Phase change memories: state-of-the-art, challenges and perspectives. Solid-State Electron. 2006;50:24–31.
Wuttig M, Yamada N. Phase-change materials for rewriteable data storage. Nat Mater. 2007;6:1004–10.
Raoux S, Welnic W, Ielmini D. Phase change materials and their application to nonvolatile memories. Chem Rev. 2010;110:240–67.
Bureau B, Danto S, Ma HL, Boussard-Pledel C, Zhang XH, Lucas J. Tellurium based glasses: a ruthless glass to crystal competition. Solid State Sci. 2008;10(4):427–33.
Elkorashy A, Elzahed H, Radwan M, Abdalla AM. Influence of composition and heat treatment on the structure of Se–Te films. Thin Solid Films. 1995;261:328–33.
El-Korashy A, El-Zahed H, Zayed HA, Kenawy MA. Effect of composition and structure on electrical conduction of Se(100 − x)Te(x) films. Solid State Commun. 1995;95:335–9.
Zhao G, Zhao YE, Wang YB, Ji CJ. Ab initio molecular dynamics study of liquid Se30Te70: structural, electronic and dynamical properties. Phys Scr. 2010;82:035603.
Bureau B, Boussard-Pledel C, Lucas P, Zhang X, Lucas J. Forming glasses from Se and Te. Molecules. 2009;14:4337–50.
Ghosh G, Sharma RC, Li DT, Chang YA. The Se–Te (selenium–tellurium) system. J Phase Equilib. 1994;15:213–24.
Svoboda R, Honcová P, Málek J. Enthalpic structural relaxation in Te–Se glassy system. J Non-Cryst Solids. 2011;357:2163–9.
Lanyon HPD, Hockings EF. The selenium–tellurium system. Phys Status Solidi B. 1966;17:K185–6.
Svoboda R, Honcová P, Málek J. Apparent activation energy of structural relaxation for Se70Te30 glass. J Non-Cryst Solids. 2010;356:165–8.
Calventus Y, Surinach S, Baro MD. Crystallization mechanisms of a Se85Te15 glassy alloy. J Phys: Condens Matter. 1996;8:927–40.
Calventus Y, Surinach S, Baro MD. Crystallization mechanisms of some Se100 - xTex glassy alloys. J Mater Res. 1997;12:1069–75.
Svoboda R, Krbal M, Málek J. Crystallization kinetics in Se–Te glassy system. J Non-Cryst Solids. 2011;357:3123–9.
Svoboda R, Málek J. Interpretation of crystallization kinetics results provided by DSC. Thermochim Acta. 2011;526:237–51.
Barták J, Svoboda R, Málek J. Electrical conductivity and crystallization kinetics in Te-Se glassy system. J Appl Phys. 2012;111:094908.
Svoboda R, Málek J. Extended study of crystallization kinetics for Se–Te glasses. J Therm Anal Calorim. 2013;111:161–71.
Svoboda R, Málek J. Thermal behavior in Se–Te chalcogenide system: interplay of thermodynamics and kinetics. J Chem Phys. 2014;141:224507.
Vermeulen PA, Momand J, Kooi BJ. Reversible amorphous-crystalline phase changes in a wide range of Se1−xTex alloys studied using ultrafast differential scanning calorimetry. J Chem Phys. 2014;141:024502.
Svoboda R, Málek J. Crystallization mechanisms occurring in the Se−Te glassy system. J Therm Anal Calorim. 2015;119:155–66.
Moharram AH. Electrical conductivity and crystallization kinetics of Se70Te30 films. Thin Solid Films. 2001;392:34–9.
Barták J, Málek J, Koštál P, Segawa H, Yamabe-Mitarai Y. Crystallization behavior in Se90Te10 and Se80Te20 thin films. J Appl Phys. 2014;115:123506.
Svoboda R, Gutwirth J, Málek J, Wágner T. Crystallization kinetics of Se−Te thin films. Thin Solid Films. 2014;571:121–6.
Barták J, Martinková S, Málek J. Crystal growth kinetics in Se–Te bulk glasses. Cryst Growth Des. 2015;15:4287–95.
Abdelazim NM, Abdel-Latief AY, Abu-Sehly AA, Abdel-Rahim MA. Determination of activation energy of amorphous to crystalline transformation for Se90Te10 using isoconversional methods. J Non-Cryst Solids. 2014;387:79–85.
Khan ZH, Khan SA, Salah N, Habib SS, Al-Ghamdi AA. Electrical transport properties of thin film of a-Se87Te13 nanorods. J Exp Nanosci. 2011;6:337–48.
Kostrzepa IM, Siqueira MC, Machado KD, Maciel GA, Sanchez DF, Brunatto SF. Structural investigations on an amorphous Se90Te10 alloy produced by mechanical alloying using EXAFS, cumulant expansion and RMC simulations. J Phys: Condens Matter. 2012;24:125401.
Kushwaha N, Mehta N, Shukla RK, Kumar D, Kumar A. Observation of MEYER-NELDEL N rule in amorphous Se100-XTeX thin films. J Optoelectron Adv Mater. 2005;7:2293–8.
Lakshmikumar ST, Padaki VC, Krishnapur PP, Subramanyam SV, Mallya RM, Gopal ESR. Ultrasonic velocities and thermal expansion coefficients of amorphous Se80Te20 and Se90Te10 alloys near glass transitions. J Mater Sci. 1982;17:183–92.
Vyazovkin S, Burnham AK, Criado JM, Pérez-Maqueda LA, Popescu C, Sbirrazzuoli N. ICTAC Kinetics Committee recommendations for performing kinetic computations on thermal analysis data. Thermochim Acta. 2011;520:1–19.
Šesták J. The quandary aspects of non-isothermal kinetics beyond the ICTAC kinetic committee recommendations. Thermochim Acta. 2015;611:26–35.
Málek J. The kinetic analysis of non-isothermal data. Thermochim Acta. 1992;200:257–69.
Málek J. Kinetic analysis of crystallization processes in amorphous materials. Thermochim Acta. 2000;355:239–53.
Šesták J. Part D, Thermophysical properties of solids. In: Wendlandt WW, editor. Thermal analysis: their measurements and theoretical thermal analysis, vol 12. New York: Elsevier; 1984. p. 172–259.
Yinnon H, Uhlmann DR. Applications of thermoanalytical techniques to the study of crystallization kinetics in glass-forming liquids, part I: theory. J Non-Cryst Solids. 1983;54:253–75.
Šimon P. Isoconversional methods. J Therm Anal Calorim. 2004;76(1):123–32.
Šimon P. Considerations on the single-step kinetics approximation. J Therm Anal Calorim. 2005;82(3):651–7.
Šimon P. Single-step kinetics approximation employing non-Arrhenius temperature functions. J Therm Anal Calorim. 2005;79(3):703–8.
Serra R, Sempere J, Nomen R. A new method for the kinetic study of thermoanalytical data: the non-parametric kinetics method. Thermochim Acta. 1998;316:37–45.
Perejón A, Sánchez-Jiménez PE, Criado JM, Pérez-Maqueda LA. Kinetic analysis of complex solid-state reactions. A new deconvolution procedure. J Phys Chem B. 2011;115:1780–91.
Vyazovkin SV, Lesnikovich AI. On the dependence of kinetic parameters and functions in non-isothermal kinetics. Thermochim Acta. 1987;122:413–8.
Sewry JD, Brown ME. Model-free kinetic analysis? Thermochim Acta. 2002;390:217–25.
Friedman HL. Kinetics of thermal degradation of char-forming plastics from thermogravimetry. Application to a phenolic plastic. J Polym Sci Part C. 1964;6:183–95.
Akahira T, Sunose T. Method of determining activation deterioration constant of electrical insulating materials. Res Rep Chiba Inst Technol (Sci Technol). 1971;16:22–31.
Flynn JH, Wall LA. General treatment of the thermogravimetry of polymers. J Res Natl Bur Stand A. 1966;70:487–523.
Starink MJ. The determination of activation energy from linear heating rate experiments: a comparison of the accuracy of isoconversion methods. Thermochim Acta. 2003;404:163–76.
Málek J. The applicability of Johnson-Mehl-Avrami model in the thermal analysis of the crystallization kinetics of glasses. Thermochim Acta. 1995;267:61–73.
Doyle CD. Kinetic analysis of thermogravimetric data. J Appl Polym Sci. 1961;5(15):285–92.
Zsako J. Kinetic analysis of thermogravimetric data. J Phys Chem. 1968;72:2406.
Šesták J, Berggren G. Study of the kinetics of the mechanism of solid-state reactions at increasing temperatures. Thermochim Acta. 1971;3:1–12.
Šesták J. Šesták. Berggren equation: now questioned but formerly celebrated—what is right. J Therm Anal Calorim. 2015. doi:10.1007/s10973-015-4998-x.
Šesták J. Modeling of reaction mechanism: use of Euclidian and fractal geometry. In: Šesták J, editor. Science of heat and thermophysical studies: a generalized approach to thermal analysis. Amsterdam: Elsevier; 2005. p. 276–317.
Gorbachev VM. Some aspects of Šestak’s generalized kinetic equation in thermal analysis. J Therm Anal Calorim. 1980;18:193–7.
Perez-Maqueda LA, Criado JM, Sanchez-Jimenez PE. Combined kinetic analysis of solid-state reactions: a powerful tool for the simultaneous determination of kinetic parameters and the kinetic model without previous assumptions on the reaction mechanism. J Phys Chem A. 2006;110:12456–62.
Greenwood PE, Nikulin MS. A guide to chi-squared testing, vol. 280. Hoboken: Wiley; 1996.
Laidler KJ. The development of the Arrhenius equation. J Chem Educ. 1984;61(6):494.
Šesták J, Holba P. Heat inertia and temperature gradient in the treatment of DTA peaks. J Therm Anal Calorim. 2013;113(3):1633–43.
Šesták J. Science of heat and thermophysical studies: a generalized approach to thermal analysis. Amsterdam: Elsevier; 2005.
Holba P, Šesták J. Heat inertia and its role in thermal analysis. J Therm Anal Calorim. 2015;121(1):303–7.
Holba P, Šesták J, Sedmidubský D. Heat transfer and phase transition in DTA experiments. In: Šesták J, Šimon P, editors. Thermal analysis of micro, nano- and non-crystalline materials. Netherlands: Springer; 2012. p. 99–133.
Šesták J. Is the original Kissinger equation obsolete today: not obsolete the entire non-isothermal kinetics? J Therm Anal Calorim. 2014;117(1):3–7.
Farjas J, Roura P. Isoconversional analysis of solid state transformations. J Therm Anal Calorim. 2011;105(3):757–66.
Chen K, Vyazovkin S. Temperature dependence of sol–gel conversion kinetics in gelatin-water system. Macromol Biosci. 2009;9(4):383–92.
Vyazovkin S. Some confusion concerning integral isoconversional methods that may result from the paper by Budrugeac and Segal “Some methodological problems concerning nonisothermal kinetic analysis of heterogeneous solid–gas reactions”. Int J Chem Kinet. 2002;34(7):418–20.
Vyazovkin S, Sbirrazzuoli N. Isoconversional kinetic analysis of thermally stimulated processes in polymers. Macromol Rapid Commun. 2006;27(18):1515–32.
Órfão JM. Review and evaluation of the approximations to the temperature integral. AIChE J. 2007;53(11):2905–15.
Murray P, White J. Kinetics of the thermal dehydration of clays. Part IV. Interpretation of the differential thermal analysis of the clay minerals. Trans Br Ceram Soc. 1955;54:204–38.
Holba P, Šesták J. Imperfections of Kissinger evaluation method and crystallization kinetics. Glass Phys Chem. 2014;40(5):486–95.
Avramov I, Šesták J. Generalized kinetics of overall phase transition explicit to crystallization. J Therm Anal Calorim. 2014;118(3):1715–20.
Koga N, Šesták J. Kinetic compensation effect as a mathematical consequence of the exponential rate constant. Thermochim Acta. 1991;182:201–8.
Vyazovkin S. The handbook of thermal analysis & calorimetry. Rec Adv Tech Appl. 2008;5:503.
Barrie PJ. The mathematical origins of the kinetic compensation effect: 2. The effect of systematic errors. J Phys Chem Chem Phys. 2012;14:327–36.
Binner JGP, Hassine NA, Cross TE. The possible role of the pre-exponential factor in explaining the increased reaction rates observed during the microwave synthesis of titanium carbide. J Mater Sci. 1995;30(21):5389–93.
Acknowledgements
Authors would like to thank Prof. N. Afify—Physics Department, Faculty of Science, Assiut University, for his appreciable help in preparing the glassy samples. Prof. A. S. Hammam, Chemistry Department, Faculty of Science, Assiut University, is acknowledged for language revision of this work.
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Hammam, M.A.S., Abdel-Rahim, M.A., Hafiz, M.M. et al. New combination of non-isothermal kinetics-revealing methods. J Therm Anal Calorim 128, 1391–1405 (2017). https://doi.org/10.1007/s10973-017-6086-x
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DOI: https://doi.org/10.1007/s10973-017-6086-x