The kinetics of thermal decomposition and hot-stage microscopy of selected energetic cocrystals

Dean, Joshua Trevett; Örnek, Metin; Manship, Timothy D.; Son, Steven F.

doi:10.1080/07370652.2020.1792585

Cited by 2 publications

(1 citation statement)

References 28 publications

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“…the long-term storage or exposure to harsh processing conditions. Papers dealing with the kinetics of solid-state processes are thus frequently published not only in thermo-analytical journals [1][2][3][4][5][6][7][8][9][10], but also in journals focused on materials science [11][12][13][14][15], pharmacy [16][17][18][19][20], plastics [21][22][23][24][25], explosives [26][27][28][29][30] etc. In correspondence, the methodology for the kinetic calculations is constantly developed-reviews on the recent advancements in this field can be found e.g.…”

Section: Introductionmentioning

confidence: 99%

Simulation and non-linear optimization of kinetic models for solid-state processes

Luciano,

Svoboda

2024

Modelling Simul. Mater. Sci. Eng.

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Numerical simulations and optimizations methods are increasingly used in the field of kinetic analysis of solid-state processes, such as the crystallization of glassy materials. The influence of the simulations accuracy (with the two main factors being the initial value of conversion rate and the density of points) on the kinetic distortions was tested for the major solid-state kinetic models: nucleation-growth Johnson-Mehl-Avrami model, nth order reaction model, autocatalyzed nth order reaction model, diffusion models, contracting cylinder and contracting sphere models. The simulations were performed using a self-developed software based on the LSODA initial-value-problem-solver; the evaluation of the changes in the shape of the kinetic peaks was done using a commercial software that utilizes a standardized multivariate kinetic analysis approach. The accuracy was found to be influenced mainly by initial value of conversion rate. For majority of the tested kinetic models, the simulation accuracy had negligible effect on the consequently determined values activation energy, pre-exponential factor, integrated area of the kinetic peaks, or the asymmetry-determining values of the models kinetic exponents. Significant influence of the simulation accuracy was observed for the models with active autocatalytic features, which were identified to be the main source of the deviations introduced and propagated through the simulation algorithm. Contrary to the previous research, the deviations of the simulated peaks shape cannot be associated solely with the positive asymmetry of the kinetic peaks.

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Section: Introductionmentioning

confidence: 99%

Simulation and non-linear optimization of kinetic models for solid-state processes

Luciano,

Svoboda

2024

Modelling Simul. Mater. Sci. Eng.

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Preparation and characterization of multifunctional piezoenergetic polyvinylidene fluoride/aluminum nanocomposite films

Örnek

Uhlenhake

Zhou

et al. 2022

Journal of Applied Physics

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We prepared poly(vinylidene fluoride) (PVDF) and aluminum composite dense films using a tape caster and investigated the microstructural, thermal, and electrical properties and the combustion behavior of the films as a function of nano-aluminum (nAl) solids loading (5–30 wt. %). We found that the addition of nAl facilitates the formation of piezoelectric β and γ phases of PVDF as determined by x-ray diffraction and Fourier transform infrared spectroscopy. At higher nAl solid loadings, the lower onset temperature of the pre-ignition and decomposition reactions have been observed. Moreover, the intentionally incorporated porosity into the films slightly affected the thermal decomposition behavior. While the dielectric constant of the films increases with higher nAl content, the dielectric breakdown strength of the films decreases significantly. The critical active nAl content for the films to exhibit self-propagated reaction was determined to be between 10 and 15 wt. %. Thermochemical calculations using the NASA CEA code showed the maximum flame temperature of 1750 °C near the stoichiometric ratio (∼20 wt. %). The burning rate of the films is enhanced drastically at ambient conditions with further addition of nAl. However, the films with active nAl content over 20 wt. % showed lower flame temperatures, which is due to the reduction of hydrofluoric acid gas generation and the incomplete combustion of Al to form aluminum monofluoride (AlF), instead of aluminum fluoride (AlF3) gas. The fabrication of energetic thin films with tunable properties could enable their use in multifunctional energetic material systems.

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The kinetics of thermal decomposition and hot-stage microscopy of selected energetic cocrystals

Cited by 2 publications

References 28 publications

Simulation and non-linear optimization of kinetic models for solid-state processes

Simulation and non-linear optimization of kinetic models for solid-state processes

Preparation and characterization of multifunctional piezoenergetic polyvinylidene fluoride/aluminum nanocomposite films

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