An advanced reaction model determination methodology in solid-state kinetics based on Arrhenius parameters variation

Shahcheraghi, Seyed Hadi; Khayati, Gholam Reza; Ranjbar, Mohammad

doi:10.1007/s10973-015-4853-0

Cited by 15 publications

(5 citation statements)

References 40 publications

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“…Various methods have been proposed over the last few years to estimate the reaction model. The detailed explanation of these different methods can be found elsewhere . In this research work, a recently developed regression method was used .…”

Section: Theoreticalsupporting

confidence: 88%

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Investigation on the Thermal Degradation Kinetics of Polypropylene/Organically Modified Montmorillonite Nanocomposites with Different Levels of Compatibilizer

Vimalathithan

Barile

Casavola

et al. 2018

Macro Materials & Eng

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Polypropylene/organically modified montmorillonite (OMMT) nanocomposites are prepared with different levels of compatibilizer (maleic anhydride functionalized polypropylene) and OMMT. A specially designed polymer nanocomposite injection molding compounder with a hyperbolic nozzle is used to prepare the nanocomposites. The thermal kinetic parameters, the activation energy, pre‐exponential factor, and the reaction model are estimated using isoconversional methods. The activation energy of virgin polypropylene is slightly higher than the polypropylene/OMMT nanocomposites. However, the presence of the compatibilizer is the vital reason for the lower activation energy in the polypropylene/OMMT nanocomposites. The reaction model explains the complexity of the reaction in the presence of OMMT and its influence on the accelerated charring in the later stages of degradation. The optimum working temperature of the prepared polypropylene/clay nanocomposites is significantly higher thus proving that OMMT improves the thermal stability of the nanocomposites. The polypropylene with 5% OMMT and 10% compatibilizer in its weight proportion has the optimum working temperature of 198 °C for 20 000 h before losing its integrity.

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Section: Theoreticalsupporting

confidence: 88%

“…The detailed explanation of these different methods can be found elsewhere. [29][30][31][32][33] In this research work, a recently developed regression method was used. [27] The method utilizes the Šesták-Berggren (SB) equation to develop Equation (10).…”

Section: Reaction Modelmentioning

confidence: 99%

Investigation on the Thermal Degradation Kinetics of Polypropylene/Organically Modified Montmorillonite Nanocomposites with Different Levels of Compatibilizer

Vimalathithan

Barile

Casavola

et al. 2018

Macro Materials & Eng

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“…Shahcheraghi et al put forward an innovative and advanced master plot method to evaluate the reaction model. The total variation in the reaction rate as reaction proceeds can be written as …”

Section: Methodsmentioning

confidence: 99%

“…Theoretical Sh(α) in the left side of eq was estimated using mathematical expressions of some classical reaction models listed in Table . ,, According to the right side of eq , experimental Sh(α) was calculated by HP-DSC data. Comparison between theoretical and experimental Sh(α) facilitated selecting the rational reaction model.…”

Section: Methodsmentioning

confidence: 99%

“…First, model-free methods can reflect the relation of kinetic parameters versus conversion degree to disclose the intricate reaction process. Second, they are able to determine the kinetic parameters without the selection of a reaction model, which avoids the so-called compensation effect. , Recently, an advanced master plot method proposed by Shahcheraghi et al was adopted to evaluate the reaction model on the basis of E and A r . Karimian et al selected two appropriate reaction models for the HTO region of heavy crude oils mixed with a limestone matrix using this method.…”

Section: Introductionmentioning

confidence: 99%

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Thermal Behavior and Kinetic Triplets of Heavy Crude Oil and Its SARA Fractions during Combustion by High-Pressure Differential Scanning Calorimetry

Zhao

Yuan

et al. 2019

Energy Fuels

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In situ combustion (ISC) has been regarded as an efficient technique for the exploitation of heavy oil reserves. In this work, the thermal behavior of one heavy crude oil and the fractions of its saturates, aromatics, resins, and asphaltenes (SARA) during combustion was thoroughly investigated using high-pressure differential scanning calorimetry. Two typical isoconversional methods were adopted to determine the variation of activation energy (E) and frequency factor (A r) versus conversion degree in the course of the reaction, followed by the evaluation of the reaction model, f(α), via the master plot method. The results indicated that the heavy oil encountered larger thermal release caused by low-temperature oxidation (LTO) reactions rather than high-temperature oxidation (HTO) reactions, suggesting that appreciable heat could be available within the low-temperature range. Saturates showed a notably apparent heat release in the LTO reactions. For aromatics, the exothermic effect at the LTO stage was apparently higher than that at the HTO stage, contrary to the results detected at atmospheric pressure. Saturates and asphaltenes gave the highest cumulative heat release in the LTO and HTO regions, respectively. The variation of kinetic parameters (E and A r) versus conversion degree during combustion was quite different for the heavy oil and its SARA fractions, implying their varying reaction mechanisms and pathways. Saturates exhibited the lowest average value of E at the LTO stage, whereas aromatics and resins gave the lowest average value of E at the HTO stage. The most probable f(α) of the LTO interval for the oil and its SARA fractions followed power law reaction models P–0.6, P–0.3, P0.1, P0.05, and P0.2. The appropriate f(α) for the HTO interval of the oil, saturates, and aromatics was the chemical process or mechanism non-invoking equations F2.1, F0.8, and F0.6, respectively. The Sestak–Berggren reaction model SB(0.5,0.9) and Avrami–Erofeev reaction model A2 were regarded as the rational f(α) for the HTO region of resins. These observations could provide some guidance with regard to the numerical modeling of SARA fractions to simulate the ISC process.

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Thermal decomposition kinetics of Mn0.9Co0.1HPO4·3H2O using experimental-model comparative and thermodynamic studies

Sronsri

Noisong

Danvirutai

2016

J Therm Anal Calorim

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An advanced reaction model determination methodology in solid-state kinetics based on Arrhenius parameters variation

Cited by 15 publications

References 40 publications

Investigation on the Thermal Degradation Kinetics of Polypropylene/Organically Modified Montmorillonite Nanocomposites with Different Levels of Compatibilizer

Investigation on the Thermal Degradation Kinetics of Polypropylene/Organically Modified Montmorillonite Nanocomposites with Different Levels of Compatibilizer

Thermal Behavior and Kinetic Triplets of Heavy Crude Oil and Its SARA Fractions during Combustion by High-Pressure Differential Scanning Calorimetry

Thermal decomposition kinetics of Mn0.9Co0.1HPO4·3H2O using experimental-model comparative and thermodynamic studies

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