Non-parametric kinetic analysis of autocatalytic reactions

Ferrer, Nabí; Serra, Eduard; Sempere, J.; Nomen, R.

doi:10.1016/j.jlp.2017.08.001

Cited by 10 publications

(6 citation statements)

References 13 publications

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“…The Kissinger method, also known as the maximum method, is applicable for processes that occur under linear heating rate conditions. Given its convenience, it is the most widely used conversion rate method [ 33 , 34 , 35 , 36 ]. The method is shown as the following Equation (1):

where A is the pre-exponential factor; T is the reaction temperature, K; f ( α ) is the mechanism function, f ’( α ) = df( α )/d α ; R is the ideal gas constant, R = 8.314 J/(mol·K); and E a is an exact value only when f ′( α ) is a constant.…”

Section: Methodsmentioning

confidence: 99%

Thermal Effect and Mechanism Analysis of Flame-Retardant Modified Polymer Electrolyte for Lithium-Ion Battery

Huang

Tang

et al. 2021

Polymers

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In recent years, the prosperous electric vehicle industry has contributed to the rapid development of lithium-ion batteries. However, the increase in the energy density of lithium-ion batteries has also created more pressing safety concerns. The emergence of a new flame-retardant material with the additive ethoxy (pentafluoro) cyclotriphosphazene can ameliorate the performance of lithium-ion batteries while ensuring their safety. The present study proposes a new polymer composite flame-retardant electrolyte and adopts differential scanning calorimetry (DSC) and accelerating rate calorimetry to investigate its thermal effect. The study found that the heating rate is positively correlated with the onset temperature, peak temperature, and endset temperature of the endothermic peak. The flame-retardant modified polymer electrolyte for new lithium-ion batteries has better thermal stability than traditional lithium-ion battery electrolytes. Three non-isothermal methods (Kissinger; Kissinger–Akahira–Sunose; and Flynn–Wall–Ozawa) were also used to calculate the kinetic parameters based on the DSC experimental data. The apparent activation energy results of the three non-isothermal methods were averaged as 54.16 kJ/mol. The research results can provide valuable references for the selection and preparation of flame-retardant additives in lithium-ion batteries.

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Section: Methodsmentioning

confidence: 99%

Thermal Effect and Mechanism Analysis of Flame-Retardant Modified Polymer Electrolyte for Lithium-Ion Battery

Huang

Tang

et al. 2021

Polymers

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“…Where m and n are orders of the reaction concerning each reagent, and (m + n) is the global order of the reaction 37 . The reaction speed constant as a function of the temperature is calculated through Equation 4 [22][23][24] .…”

Section: Mathematical Modeling To Obtain Kinetic Parametersmentioning

confidence: 99%

Kinetic and Viscoelastic Study of Liquid Thermoplastic Matrix Based on Methyl Methacrylate Copolymers

et al. 2023

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The industries that have polymers as an important raw material in their production, such as the construction, automotive, electrical and electronic sectors, always seek innovations to cut costs, reduce weight, easiness of processing, maximizing mechanical properties, and recyclability. In this context, this work presents the study of the kinetic parameters and viscoelastic behavior of a new thermoplastic system initially liquid. Through differential scanning calorimetry (DSC) analysis, Brookfield viscosimetry; dynamic-mechanical analysis (DMA) and mathematical modeling with consolidated and standardized methods, it was possible to evaluate the polymerization kinetics and viscoelastic behavior of the material in solutions with different concentrations. The generated equations allow the prediction of the kinetic and gelation behavior of the material reducing the need for laboratory tests to determine polymer properties. The found results showed that concentrations of benzoyl peroxide initiator with 1wt% in the methyl methacrylate (MMA) copolymer solution have the best viscoelastic and dynamic-mechanical properties with a less expensive polymerization cycle.

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“…Several kinetic methods were derived from the following Arrhenius equations 43 shown in Eqs. ( 1 )‒( 4 ): where T is the reaction temperature (K), and T o is the onset temperature (K), α is conversion rate, t is the reaction time (s), k is the reaction rate constant, A is the pre-exponential factor, R is the universal gas constant (8.314 J/mol K).…”

Section: Experiments and Methodsmentioning

confidence: 99%

Thermal hazard evaluation on spontaneous combustion characteristics of nitrocellulose solution under different atmospheric conditions

Zhi-ping

Jiang

Huang

et al. 2021

Sci Rep

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Nitrocellulose (NC) is widely used in both military and civilian fields. Because of its high chemical sensitivity and low decomposition temperature, NC is prone to spontaneous combustion. Due to the dangerous properties of NC, it is often dissolved in other organic solvents, then stored and transported in the form of a solution. Therefore, this paper took NC solutions (NC-S) with different concentrations as research objects. Under different atmospheric conditions, a series of thermal analysis experiments and different reaction kinetic methods investigated the influence of solution concentration and oxygen concentration on NC-S’s thermal stability. The variation rules of NC-S’s thermodynamic parameters with solution and oxygen concentrations were explored. On this basis, the spontaneous combustion characteristics of NC-S under actual industrial conditions were summarized to put forward the theoretical guidance for the spontaneous combustion treatment together with the safety in production, transportation, and storage.

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Non-parametric kinetic analysis of autocatalytic reactions

Cited by 10 publications

References 13 publications

Thermal Effect and Mechanism Analysis of Flame-Retardant Modified Polymer Electrolyte for Lithium-Ion Battery

Thermal Effect and Mechanism Analysis of Flame-Retardant Modified Polymer Electrolyte for Lithium-Ion Battery

Kinetic and Viscoelastic Study of Liquid Thermoplastic Matrix Based on Methyl Methacrylate Copolymers

Thermal hazard evaluation on spontaneous combustion characteristics of nitrocellulose solution under different atmospheric conditions

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