A simple and linear isoconversional method to determine the pre-exponential factors and the mathematical reaction mechanism functions

Trache, Djalal; Abdelaziz, Amir; Siouani, Bachir

doi:10.1007/s10973-016-5962-0

Cited by 180 publications

(111 citation statements)

References 41 publications

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“…Figure shows the evolution of E a and A along with their related uncertainty intervals (errors bars) computed by all considered isoconversional approaches (TAS, it‐KAS, it‐FWO, and VYA/CE) with extent of conversion changing from 0.02 to 0.98 for the thermal decomposition of MCCN1. It can be observed from Figure and Table S1–S4, Supporting Information that the relative errors of the activation energies and the pre‐exponential factors obtained from the used isoconversional integral procedures are very close, demonstrating their comparable accuracy …”

Section: Resultsmentioning

confidence: 69%

“…As can be clearly checked, the Arrhenius parameters evaluated by the different used isoconversional kinetic methods present comparable trend and close values, except those computed based on it‐FWO approach, which shows slightly lower values of Arrhenius parameters than those obtained by TAS, it‐KAS, and VYA/CE, while keeping the same evolution. This finding was expected since it‐FWO equation employs only the first approximation of the temperature integral …”

Section: Resultsmentioning

confidence: 73%

“…Such analysis can be performed in two main approaches: model free (isoconversional methods) and model fitting (non‐isoconversional methods) approaches . Moreover, isoconversional method can be broadly classified in two categories: differential (e.g., Friedman) and integral (e.g., modified Coats–Redfern) methods …”

Section: Apparatus and Methodsmentioning

confidence: 99%

“…Furthermore, the integration of Equation conducts to

g (α) = \int_{0}^{α} \frac{d α}{f false(α false)} = \frac{A}{β} e^{- E_{a} / R T} d T

where g (α) refers to the integral reaction model, whose 41 forms are reported elsewhere . The integral in Equation could not be solved analytically for an arbitrary temperature program.…”

Section: Apparatus and Methodsmentioning

confidence: 99%

“…Kinetic parameters (activation energy, pre‐exponential factor, and mathematical reaction mechanism) from non‐isothermal data can be computed by isoconversional and non‐isoconversional procedures . However, it was reported by several authors that utilizing isoconversional methods conducts to more effective kinetic parameters compared to non‐isoconversional approaches as recommended by the international confederation for thermal analysis and calorimetry (ICTAC) …”

Section: Introductionmentioning

confidence: 99%

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A Promising Energetic Polymer from Posidonia oceanica Brown Algae: Synthesis, Characterization, and Kinetic Modeling

Tarchoun

Trache

Klapötke

et al. 2019

Macro Chemistry & Physics

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In this study, microcrystalline cellulose nitrate (MCCN) as energetic polymer is successfully obtained from Posidonia oceanica brown algae (POBA). Fourier transform infrared spectroscopy (FTIR) results show alterations in the intensities of some absorption bands, suggesting a significant difference in the chemical structure between microcrystalline cellulose and the emergent MCCN samples. X‐ray diffraction (XRD) measurements indicate that MCCNs are more crystalline than conventional nitrocellulose (NC). According to scanning electron microscopy (SEM), both NC and MCCN reveal a compact structure and a rough surface. Differential scanning calorimetry (DSC) displays that the thermal degradation of MCCNs shifts to lower temperatures compared to the respective NCs. Furthermore, in comparison with NC samples, MCCN samples exhibit high density, high nitrogen content, low viscosity‐average molecular weight, and good thermal stability. On the other hand, kinetic modeling based on DSC data is carried out by isoconversional integral methods to determine Arrhenius parameters and the decomposition mechanisms. It is found that MCCNs present lower activation energies than conventional NCs with a decrease of ≈6%. Finally, this work opens a new pathway to prepare MCCN from POBA, and it is expected to have applications in several areas such as propellants, energetic binders, and gas generators.

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Section: Resultsmentioning

confidence: 69%

Section: Resultsmentioning

confidence: 73%

Section: Apparatus and Methodsmentioning

confidence: 99%

“…Furthermore, the integration of Equation conducts to

g (α) = \int_{0}^{α} \frac{d α}{f false(α false)} = \frac{A}{β} e^{- E_{a} / R T} d T

where g (α) refers to the integral reaction model, whose 41 forms are reported elsewhere . The integral in Equation could not be solved analytically for an arbitrary temperature program.…”

Section: Apparatus and Methodsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 3 more Smart Citations

A Promising Energetic Polymer from Posidonia oceanica Brown Algae: Synthesis, Characterization, and Kinetic Modeling

Tarchoun

Trache

Klapötke

et al. 2019

Macro Chemistry & Physics

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Augmented catalytic effect of nano‐bi‐transition metal ferrite NiZnFe₂O₄ for nano‐nitrotriazolone thermolysis

Dave

Thakkar

Sirach

2022

Applied Organom Chemis

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The present research aims to study the thermolysis behavior of nano‐nitrotriazolone (nNTO) with and with catalyst bi‐transition metal ferrite (NiZnFe2O4‐NZF). Synthesized NTO via consecutive reaction method was modified to nanosize by using solvent–antisolvent method, while co‐precipitation method was used for the preparation of ferrite. Their physico‐chemical characteristics have been investigated in detail by using X‐ray diffraction (XRD), field emission gun scanning electron microscope (FEG‐SEM), Fourier transform infrared (FTIR), Raman, and ultraviolet–visible (UV–vis) analytical techniques. The catalytic performance was studied briefly using simultaneous thermal analyses. The average crystalline size of NZF is found between 12 and 25 nm, while NTO and nNTO are found between 15 and 40 nm. The nNTO derived from NTO showed higher crystallinity and less agglomeration, while NZF has nanoparticles with polyhedral shape. The thermal results are depicted that this catalyst worked superior to enhance thermolysis of nNTO than its mixture with NTO and it was evaluated by the various kinetic model. The kinetic mean values revealed that nNTO + NZF activation energy decreased in the range of 100–150 kJ mol−1. According to the obtained results, such kind of catalyst has been used for the preparations of explosive energetic formulations that are widely applicable in rocketry development.

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Preparation and thermal performance of nitrocellulose coated by polydopamine

Zhao

Fan

Ding

et al. 2021

J of Applied Polymer Sci

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The existing stabilizers for nitrocellulose (NC) have various disadvantages of harming human health and polluting the environment, which does not meet the requirements of “green” propellants. This research work investigates the self‐polymerization of dopamine to prepare polydopamine (PDA) coated NC composites, and explores the effects of PDA on the thermal stability of NC. SEM, FT‐IR, and RAMAN were applied to investigate the changes of NC surface morphology and chemical structure. The results show that PDA is effectively coated on the NC surface and form a dense PDA film. The thermal decomposition behavior of NC was studied by TG and DSC, and the thermal decomposition activation energy was calculated. The results showed that the thermal stability of the physical mixture did not improve. The thermal stability of the complex increases first and then decreases with increasing of the concentration of dopamine hydrochloride. The optimal reaction conditions are that the concentration of dopamine hydrochloride is 3 g/L and the reaction time is 24 h. The thermal decomposition activation energy of the sample under the optimal conditions is 190.00 kJ/mol, 8.91% higher than that of NC (174.45 kJ/mol), which proves that PDA has the ability to improve the thermal stability of NC.

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A simple and linear isoconversional method to determine the pre-exponential factors and the mathematical reaction mechanism functions

Cited by 180 publications

References 41 publications

A Promising Energetic Polymer from Posidonia oceanica Brown Algae: Synthesis, Characterization, and Kinetic Modeling

A Promising Energetic Polymer from Posidonia oceanica Brown Algae: Synthesis, Characterization, and Kinetic Modeling

Augmented catalytic effect of nano‐bi‐transition metal ferrite NiZnFe₂O₄ for nano‐nitrotriazolone thermolysis

Preparation and thermal performance of nitrocellulose coated by polydopamine

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A simple and linear isoconversional method to determine the pre-exponential factors and the mathematical reaction mechanism functions

Cited by 180 publications

References 41 publications

A Promising Energetic Polymer from Posidonia oceanica Brown Algae: Synthesis, Characterization, and Kinetic Modeling

A Promising Energetic Polymer from Posidonia oceanica Brown Algae: Synthesis, Characterization, and Kinetic Modeling

Augmented catalytic effect of nano‐bi‐transition metal ferrite NiZnFe2O4 for nano‐nitrotriazolone thermolysis

Preparation and thermal performance of nitrocellulose coated by polydopamine

Contact Info

Product

Resources

About

Augmented catalytic effect of nano‐bi‐transition metal ferrite NiZnFe₂O₄ for nano‐nitrotriazolone thermolysis