Calibration of Chemical Kinetic Models Using Simulations of Small-Scale Cookoff Experiments

Wemhoff, Aaron P.; Becker, Richard; Burnham, A.K.

doi:10.1115/ht2008-56108

Heat Transfer: Volume 3 2008

DOI: 10.1115/ht2008-56108

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Calibration of Chemical Kinetic Models Using Simulations of Small-Scale Cookoff Experiments

Aaron P. Wemhoff

Richard Becker

A.K. Burnham

Abstract: Establishing safe handling limits for explosives in elevated temperature environments is a difficult problem that

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Cited by 2 publications

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“…Few studies have investigated the effects of pinhole (or orifice) size on thermal decomposition and sublimation behaviors of energetic materials. The uses of open and closed DSC pans were shown to result in a transition from endothermic evaporation to exothermic decomposition for 2,4,6-trinitrotoluene (TNT), 1,3,3-Trinitroazetidine (TNAZ), and ammonium perchlorate (AP) [3][4][5]. For a given pinhole size, a similar transition in DSC curves was observed for 3,5-dinitro-1H-pyrazole (35-DNP) when the environmental pressure was increased from 0.1 MPa to 5 MPa [6].…”

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confidence: 99%

Comparative analysis of sublimation and thermal decomposition of TATB

Koroglu,

Burnham,

Mashiana

et al. 2023

Propellants Explo Pyrotec

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This experimental study investigated the effects of confinement, starting mass, and heating rate on TATB thermal decomposition and sublimation using a combined Thermo‐Gravimetric Analyzer and Differential Scanning Calorimetry (TGA/DSC) instrument. The confinement of volatile products was varied using different pinhole sizes with TGA/DSC pans. The measurements showed the open pan experiments without lids/pinholes resulted in complete sublimation of TATB between 320 °C and 360 °C. The heat of sublimation was determined to be 176 kJ/mol (42 kcal /mol), consistent with literature data obtained from other experimental techniques. The use of pinholes suppressed the sublimation of TATB such that the decrease in pinhole size resulted in 1) an increase in the enthalpy of reaction and an increase in the amount of carbonaceous material remaining at the end of decomposition, and 2) convergence of the two peak temperatures corresponding to maximum heat flow and maximum weight loss. Also, a transition from a two‐exotherm thermal decomposition behavior towards a single‐exotherm occurred as the pinhole size was decreased for a given starting mass or as the starting mass was increased for a given pinhole size. These results indicate the kinetics of TATB sublimation, TATB thermal decomposition, and gas diffusion out of a TGA/DSC pan can all compete and result in significantly different enthalpies, amounts of remaining materials, and peak temperatures depending on the pinhole size and starting mass used in the measurements. The results also indicate precise control of process variables (pinhole size, starting mass, and heating rate) in TGA/DSC measurements is required for thermal safety assessment of explosives.

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mentioning

confidence: 99%

Comparative analysis of sublimation and thermal decomposition of TATB

Koroglu,

Burnham,

Mashiana

et al. 2023

Propellants Explo Pyrotec

Self Cite

View full text Add to dashboard Cite

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The power of model-fitting kinetic analysis applied to complex thermal decomposition of explosives: reconciling the kinetics of bicyclo-HMX thermolysis in solid state and solution

Muravyev

Melnikov

Моногаров

et al. 2021

J Therm Anal Calorim

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Calibration of Chemical Kinetic Models Using Simulations of Small-Scale Cookoff Experiments

Abstract: Establishing safe handling limits for explosives in elevated temperature environments is a difficult problem that

Cited by 2 publications

References 20 publications

Comparative analysis of sublimation and thermal decomposition of TATB

Comparative analysis of sublimation and thermal decomposition of TATB

The power of model-fitting kinetic analysis applied to complex thermal decomposition of explosives: reconciling the kinetics of bicyclo-HMX thermolysis in solid state and solution

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