Isoconversional kinetic, mechanism and thermodynamic studies of the thermal decomposition of NH4Co0.8Zn0.1Mn0.1PO4·H2O

Sronsri, Chuchai; Noisong, Pittayagorn; Danvirutai, Chanaiporn

doi:10.1007/s10973-015-4471-x

Cited by 23 publications

(14 citation statements)

References 51 publications

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“…8,9,18 The nonisothermal (isoconversional) kinetic model is a model-free method, which involves measuring temperatures (T) corresponding to the fixed value of extent of conversion (α) at different heating rates (β, β = (dT/dt)/°C min −1 , t is time/min). The α-values from thermogravimetric analysis may be defined as the ratio of actual mass loss to the total mass loss corresponding to the investigated process:…”

Section: Theoreticalmentioning

confidence: 99%

“…5,6 Besides, the higher operating voltage is also well within the typical electrolyte stability window. 7 In the previous works, 8,9 the lithium singleand binary-metals of LiM II PO 4 (M II = Mn, Mg, Mn 0.5 Mg 0.5 , and Co 0.5 Mg 0.5 ) were synthesized via their hydrate precursors (NH 4 M II PO 4 ·H 2 O) and compared between two different Li sources of LiOH·H 2 O and Li 2 CO 3 and found that Li 2 CO 3 exhibited smaller particle size. In addition, the nonisothermal kinetic triplets including activation energy E α , pre-exponential factor A, and the reaction mechanism functions f(α) or g(α) from the formation processes of LiMnPO 4 from NH 4 MnPO 4 · H 2 O precursor were studied and reported using Ozawa− Flynn−Wall (OFW), Kissinger−Akahira−Sunose (KAS), Coat−Redfern, and multiple heating scan rates methods.…”

Section: Introductionmentioning

confidence: 99%

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Solid State Reaction Mechanisms of the LiMnPO₄ Formation Using Special Function and Thermodynamic Studies

Sronsri

Noisong

Danvirutai

2015

Ind. Eng. Chem. Res.

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LiMnPO 4 was successfully synthesized via thermal decomposition processes of the synthesized MnHPO 4 ·3H 2 O precursor. Thermogravimetry/differential thermal gravimetry/differential thermal analysis, Fourier transform infrared, atomic absorption spectrophotometry, X-ray diffraction, and scanning electron microscopy techniques were employed for the characterization of the samples. Three thermal decomposition steps in the sequence of dehydration, polycondensation, and decarbonization were observed. The iterative Kissinger−Akahira−Sunose method was used to calculate the exact E α values. Regions I and II of the first, second, and final steps were confirmed to be single-step kinetic processes with the unique kinetic triplets. The most probable mechanism functions were found to be R 3 , R 2 , A 2 , and P 4 corresponding to contracting sphere, contracting cylinder, assumed random nucleation (its subsequent growth), and nucleation processes, respectively. The preexponential factors, A, were calculated using E α and g(α). The thermodynamic functions of the transition-state complexes were evaluated from the pre-exponential factors. The kinetic triplets, reaction mechanisms, and calculated thermodynamic functions of the formation of LiMnPO 4 are reported for the first time.

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Section: Theoreticalmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Solid State Reaction Mechanisms of the LiMnPO₄ Formation Using Special Function and Thermodynamic Studies

Sronsri

Noisong

Danvirutai

2015

Ind. Eng. Chem. Res.

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“…In a practical point of view, it is possible to predict the decomposition process rate and the lifetime of the decomposed compound by using them [51]. Furthermore, they also enable assessing the dependence of activation energy on the extent of conversion.…”

Section: Isoconversional Methodsmentioning

confidence: 99%

Kinetic and thermal decomposition of ettringite synthesized from aqueous solutions

Guimarães

Oliveira

Leão

2016

J Therm Anal Calorim

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The kinetics of the thermal decomposition of a synthetic ettringite sample was studied between 298 and 820 K in an inert atmosphere for the present work. The ettringite and its thermal decomposition products were characterized using X-ray diffraction, infrared spectroscopy, and scanning electron microscopy. Four endothermic events were observed with thermogravimetry curves, the maxima of which occurred at 366, 397, 537, and 641 K. All events were associated with the loss of water molecules with different degrees of interaction within the ettringite structure. Chemical equations for each decomposition step were proposed based on the percentages of mass loss observed. In addition, for the first time, the activation energies of each ettringite decomposition events were determined by the isoconversional methods of Ozawa-Flynn-Wall, Friedman, and Kissinger-AkahiraSunose. The modeling revealed that the activation energy varied from *50 kJ mol -1 , characteristic of mass transfer control steps, to *150 kJ mol -1 , which is typical of chemical control, as the temperature increased and the ettringite structure lost water. A total of 32 mol of water was released equivalent to 43.1 % of the initial sample mass.

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“…The conversion-dependent reaction rate values (A α ) for thermal decomposition of AFc in N 2 atmosphere were determined under different heating rates using Eq. (5). For this calculation, the E α values determined by Eq.…”

Section: Kinetics Of Thermal Decompositionmentioning

confidence: 99%

“…This information finds applications across a wide range of solid-state reactions. Thermogravimetric (TG) analysis is a common method for obtaining conversion data from the thermal solid-state reactions, which result in the change of sample mass upon heating under isothermal or nonisothermal conditions [4][5][6][7][8][9]. Nonisothermal thermogravimetry with a linear heating rate is the most frequently used technique for thermal analysis of materials [7][8][9][10].…”

Section: Introductionmentioning

confidence: 99%

Kinetic Analysis of Nonisothermal Decomposition of Acetyl Ferrocene

Das

Bhattacharjee

2018

Int J of Chemical Kinetics

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The work deals with thermal decomposition of acetyl ferrocene in nitrogen atmosphere based on nonisothermal thermogravimetry. It presents a mathematical analysis of nonisothermal thermogravimetric data using multiheating rates to estimate reaction kinetic parameters. Model free (integral isoconversional) methods are employed to analyze the thermogravimetric data. The decomposition is a multistep process. The activation energy Eα of decomposition is conversion (α) dependent. The average values of activation energy are Eα = 49.87, 106.28, and 183.35 kJ mol−1 for three major steps of decomposition. The most probable reaction mechanism function, g(α), for thermal reactions has been identified by the master plot method, and the stepwise reaction mechanisms are found to be different for different steps. The estimated values of the activation energy Eα and g(α) have been utilized in the determination of the reaction rate Aα of thermal decomposition. The α‐dependent reaction rate values are determined and are found to lie in the range of 5.2 × 105 to 3.2 × 104 min−1, 1.7 × 1015 to 7.8 × 106 min−1, and 3.8 × 108 to 1.4 × 107 min−1 for three different steps. Based on the values of Eα, g(α), and Aα, the thermodynamic triplets (ΔS, ΔH, ΔG) associated with the decomposition reactions have been estimated. Estimated kinetic parameters have been used to construct the conversion curves, and those have been successfully compared with the experimentally observed ones.

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Isoconversional kinetic, mechanism and thermodynamic studies of the thermal decomposition of NH4Co0.8Zn0.1Mn0.1PO4·H2O

Cited by 23 publications

References 51 publications

Solid State Reaction Mechanisms of the LiMnPO₄ Formation Using Special Function and Thermodynamic Studies

Solid State Reaction Mechanisms of the LiMnPO₄ Formation Using Special Function and Thermodynamic Studies

Kinetic and thermal decomposition of ettringite synthesized from aqueous solutions

Kinetic Analysis of Nonisothermal Decomposition of Acetyl Ferrocene

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Isoconversional kinetic, mechanism and thermodynamic studies of the thermal decomposition of NH4Co0.8Zn0.1Mn0.1PO4·H2O

Cited by 23 publications

References 51 publications

Solid State Reaction Mechanisms of the LiMnPO4 Formation Using Special Function and Thermodynamic Studies

Solid State Reaction Mechanisms of the LiMnPO4 Formation Using Special Function and Thermodynamic Studies

Kinetic and thermal decomposition of ettringite synthesized from aqueous solutions

Kinetic Analysis of Nonisothermal Decomposition of Acetyl Ferrocene

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Product

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Solid State Reaction Mechanisms of the LiMnPO₄ Formation Using Special Function and Thermodynamic Studies

Solid State Reaction Mechanisms of the LiMnPO₄ Formation Using Special Function and Thermodynamic Studies