Kinetic calculation: Software tool for determining the kinetic parameters of the thermal decomposition process using the Vyazovkin Method

Drozin, Dmitry; Созыкин, С. А.; Иванова, Наталья Дмитриевна; Olenchikova, Tatiana; Krupnova, Tatyana G.; Krupina, N. V.; Авдин, В. В.

doi:10.1016/j.softx.2019.100359

Cited by 37 publications

(40 citation statements)

References 21 publications

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“…where f (α) and g (α) are the differential and integral form of the kinetic method (Erceg et al 2018, Poletto et al 2012, respectively; dα/dT is the rate of conversion and P(x) is an approximation of the temperature integral, in this study were used the fourth rational expression of Senum and Yang (Drozin et al 2020) described in Equation ( 4):…”

Section: Criado Methodsmentioning

confidence: 99%

Kinetic analysis of thermal degradation of Cedrela odorata, Marmaroxylon racemosum and Tectona grandis from timber industry

Cavinato

Poletto

2021

Maderas, Cienc. tecnol.

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Thermal analysis is a powerful tool to predict the composition and thermal stability of different materials. In this work, thermogravimetric analysis of Cedrela odorata, Marmaroxylon racemosum and Tectona grandis was carried out at four different heating rates (5 °C•min -1 , 10 °C•min -1 , 20 °C•min -1 and 40 °C•min -1 ) in a non-isothermal condition. The degradation kinetics was evaluated based on Flynn-Wall-Ozawa and Criado methods. The half-life time of wood degradation reaction was also studied. The wood thermal degradation process in an oxidizing atmosphere can be divided in dehydration, devolatilization, and combustion. The kinetic results revels apparent activation energy values of 130-240 kJ•mol -1 for Tectona grandis, 150-191 kJ•mol -1 for Marmaroxylon racemosum and 188-205 kJ•mol -1 for Cedrela odorata, when conversion values ranged from 0,1-0,5. The most probable degradation mechanism for wood species studied is a diffusion model based on a three-dimensional diffusion. Cedrela odorata presented the lowest reaction half-life time while Marmaroxylon racemosum showed the highest. On the basis of these results, it can be concluded that Flynn-Wall-Ozawa and Criado methods associated with half-life time of reaction may contribute to better understand the wood degradation before use it in polymer composites.

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Section: Criado Methodsmentioning

confidence: 99%

Kinetic analysis of thermal degradation of Cedrela odorata, Marmaroxylon racemosum and Tectona grandis from timber industry

Cavinato

Poletto

2021

Maderas, Cienc. tecnol.

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“…The theoretical and predicted curves were used to calculate the kinetic parameters according to the Vyazovkin method. The calculation was carried out using the software developed by Drozin et al [17]. A previous study Monticeli et al [12] was used as a base for the obtaining of the new ANN curves at distinct heating rates.…”

Section: Methodsmentioning

confidence: 99%

“…The kinetic calculation was performed with the help of the Software developed by Drozin et al [17] with the experimental and predicted curves.…”

Section: Kinetic Approachmentioning

confidence: 99%

Application of the Artificial Neural Network (ANN) Approach for Prediction of the Kinetic Parameters of Lignocellulosic Fibers

2021

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Lignocellulosic fibers are widely applied as reinforcement in polymer composites due to their properties. The thermal degradation behavior governs the maximum temperature at which the fiber can be applied without significant mass loss. It is possible to determine this temperature using Thermogravimetric Analysis (TG). In particular, when curves are obtained at different heating rates, kinetic parameters can be determined by using Arrhenius-based equations, and more detailed characteristics of the material are obtained. However, every curve obtained at a distinct heating rate demands material, cost and time. Methods to predict thermogravimetric curves can be very useful in the materials science field, and in this sense, mathematical approaches are powerful tools, if well employed. For this reason, in the present study, thermogravimetric curves from curaua fiber were obtained at four different heating rates (5, 10, 20 and 40 °C·min−1) and Vyazovkin kinetic parameters were obtained using free available software. After, the experimental curves were fitted using an artificial neural network (ANN) approach followed by a Surface Response Methodology (SRM) aiming to obtain curves at any heating rate between the minimum and maximum experimental heating rates. Finally, Vyazovkin kinetic parameters were tested again, with the new predicted curves at the heating rates of 7, 15, 30 and 50 °C·min−1. Similar values of the kinetic parameters were obtained compared to the experimental ones. In conclusion, due to the capability to learn from the own data, ANN combined with SRM seems to be an excellent alternative to predict TG curves that do not test experimentally, opening the range of applications.

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“…Thermogravimetric analysis (TGA) data were analyzed by using three different kinetics approaches, i.e., the Coats-Redfern method (non-isothermal), Ozawa-Flynn-Wall (isoconversional), and Vyazovkin method. For the last two mentioned methods, calculations were performed by using the Kinetic Calculation v. 1.0 software [15].…”

Section: Thermogravimetric Test Of the Catalytic Activitymentioning

confidence: 99%

Development of a fluorite/perovskite composite for the catalytic combustion of soot

et al. 2021

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The fluorite/perovskite composite with general formula Ce 0.9 Pr 0.1 O 2−δ /Pr 0.6 Sr 0.4 Fe 0.5 Co 0.5 O 3−δ was chemically synthesized by the citrate-EDTA method and subsequent calcination. First, the microstructural and textural properties of the ceramic powder were determined by several techniques such as XRD, N 2 physisorption, SEM, and TEM. Then the catalyst was loaded with Co as a promoter phase. Next, the catalytic evaluations were performed using thermogravimetric analysis to determine the combustion temperature of soot. Moreover, a series of cyclic analyses were carried out to evaluate the thermal stability of the catalyst. Based on the thermogravimetry data, the kinetic parameters of the catalytic soot combustion process were obtained.

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Kinetic calculation: Software tool for determining the kinetic parameters of the thermal decomposition process using the Vyazovkin Method

Cited by 37 publications

References 21 publications

Kinetic analysis of thermal degradation of Cedrela odorata, Marmaroxylon racemosum and Tectona grandis from timber industry

Kinetic analysis of thermal degradation of Cedrela odorata, Marmaroxylon racemosum and Tectona grandis from timber industry

Application of the Artificial Neural Network (ANN) Approach for Prediction of the Kinetic Parameters of Lignocellulosic Fibers

Development of a fluorite/perovskite composite for the catalytic combustion of soot

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