Kinetic Analysis of Recovery, Recrystallization, and Phase Precipitation in an Al-Fe-Si Alloy Using JMAEK and Sesták–Berggren Models

Agreda, Ney José Luiggi

doi:10.1007/s11663-015-0309-y

Cited by 9 publications

(3 citation statements)

References 49 publications

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“…In addition, n H in eqs and can be quantified using, say, the Báez–Clancy approach. Thus, the relationship between the proportion of hydratelike moles, α, and a dissociation time of hydrate at normal pressure can be expressed by the JAMEK model , where n is an empirical constant and k is the rate constant (ps –1 ), used in previous hydrate-kinetics studies. ,− An Arrhenius fit can be made to temperature-dependent k , to yield an activation energy E a [cf. eq S1, Supporting Information (SI)].…”

Section: Methodsmentioning

confidence: 99%

“…In addition, n H in eqs 2 and 3 can be quantified using, say, the Baéz−Clancy approach. Thus, the relationship between the proportion of hydratelike moles, α, and a dissociation time of hydrate at normal pressure can be expressed by the JAMEK model 24,25 where n is an empirical constant and k is the rate constant (ps −1 ), used in previous hydrate-kinetics studies. As stressed in previous studies, 16−19 this model does not provide a rigorous description of realistic heat and mass transfer during dissociation; here, artificial isothermal conditions have been employed to adopt a common approach with previous decomposition and fluctuation−dissipation studies 29,30 or those of hydrate−liquid interfaces.…”

Section: ■ Introductionmentioning

confidence: 99%

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Electric-Field Control of Neon Uptake and Release to and from Clathrate Hydrates

2019

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The thermodynamic and kinetic properties of neon uptake and release to and from a sII clathrate hydrate were evaluated using molecular dynamics simulation in the absence and presence of an applied static electric field. In the case of neon "leakage", neon clathrate in contact with a vacuum was simulated at temperatures ranging from 200 to 225 K for 0.5 μs, with progressive neon-emptying of cages monitored. Activation energies for release and uptake were 16.4 and 14.9 kJ/mol, respectivelyconsistent with experimentally determined values; for neon release in a 0.7 V/nm electric field, the value declines to 6.5 kJ/mol, suggesting its use as a control agent in facilitating gas release from alreadyloaded clathrates. For neon uptake into an initially empty hydrate, loading free energies for 5 12 and 5 12 6 4 cages, computed via thermodynamic integration, was lower than that previously reported for methane uptake into sI hydrates.

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Section: Methodsmentioning

confidence: 99%

Section: ■ Introductionmentioning

confidence: 99%

Electric-Field Control of Neon Uptake and Release to and from Clathrate Hydrates

2019

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“…Spontaneous aging and its mechanisms were simulated using advanced kinetics and technology solutions (AKTS) with DSC data. The AKTS program is based on the Arrhenius–Sesták–Berggren theory that treats the reaction rate according to the activation energy, temperature, and reaction progress 32 . The equation is shown below,where α is the reaction progress, E is the activation energy, and A , n , and m are reaction constants.…”

Section: Introductionmentioning

confidence: 99%

Study on the Aging Mechanism of Boron Potassium Nitrate (BKNO3) for Sustainable Efficiency in Pyrotechnic Mechanical Devices

Lee

Kim

Ryu

et al. 2018

Sci Rep

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The aging of propellants in PMDs is considered to be one of the primary factors affecting the performance of PMDs. Thus, studies on the aging mechanism of propellants, which have not yet been addressed extensively, pose a solution to securing the sustainable operation of PMDs. We characterized one of the most commonly used commercial propellants (boron potassium nitrate (BKNO3)) and investigated its aging mechanism rigorously. Based on thermal analyses, we demonstrate that the decomposition of laminac, a polymer binder, is the fastest spontaneous reaction. However, it will not self-initiate at a storage temperature as high as 120 °C. The effect of the humidity level was examined by characterizing BKNO3 samples prepared. The heat of reaction and the reaction rate decreased by 18% and 67% over 16 weeks of aging, respectively. This is attributed to the oxide shells on the surface of boron particles. The formation of oxide shells could be confirmed using X-ray photoelectron spectroscopy and transmission electron microscopy–energy dispersive spectroscopy. In conclusion, surface oxide formation with the aging of BKNO3 will decrease its propulsive efficiency; oxidation reduces the potential energy of the system and the resulting oxide decreases the reaction rate.

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Aquilanti–Mundim deformed Arrhenius model in solid-state reactions

Agreda

2016

J Therm Anal Calorim

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Although the theoretical framework supporting the use of non-extensive statistical theory for the study of chemical reaction kinetics and solid-state diffusive reactions is well established, direct evaluation of the parameters involved-such as the case of pair (d, e) appearing in the d-Arrhenius model-in the pertinent experimental data has yet to be generalized. This study proposes the use of ''d-Arrhenius log-log plots'' instead of Arrhenius semilog plots as a tool to determine the kinetic parameters of a reaction and their application to two different solid-state reactions obtained by DSC measurements in an Al-Fe-Si alloy. The paper goes on to show that the data obtained by DSC using the Arrhenius law generate a single k(T), whereas resorting to the Aquilanti-Mundim deformed Arrhenius model generates a set of (d, e) parameter pairs capable of reproducing the experimental data. Different (d, e) pairs generate different k(T) (d = 0, e = Q) corresponding to the Arrhenius pair. The effect of the different (d, e) pairs on the different functions related to the kinetics of the reaction is examined.Graphical Abstract AMDA graph showing linearity for different (d, e) pairs obtained from the precipitation reaction Guinier-Preston zones measured by DSC in an AA8011 commercial alloy (Superior) and Q activation energy for different pairs (bottom). The pair of Arrhenius (0, Q) in both graphs is represented by perpendicular and horizontal lines, respectively.

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Kinetic Analysis of Recovery, Recrystallization, and Phase Precipitation in an Al-Fe-Si Alloy Using JMAEK and Sesták–Berggren Models

Cited by 9 publications

References 49 publications

Electric-Field Control of Neon Uptake and Release to and from Clathrate Hydrates

Electric-Field Control of Neon Uptake and Release to and from Clathrate Hydrates

Study on the Aging Mechanism of Boron Potassium Nitrate (BKNO3) for Sustainable Efficiency in Pyrotechnic Mechanical Devices

Aquilanti–Mundim deformed Arrhenius model in solid-state reactions

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