A historical and current perspective on predicting thermal cookoff behavior

Burnham, Alan K.; Weese, R K; Wemhoff, Aaron P.; Maienschein, J L

doi:10.1007/s10973-006-8161-6

Cited by 52 publications

(31 citation statements)

References 15 publications

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“…The profiles calculated using time and temperature properly coupled to Eq. (14) show that the reaction profiles do not match the profiles used to calibrate the model. The problem is much worse for the Gaussian DAEM than for the extended Prout-Tompkins model for reasons to be explained forthwith.…”

Section: Numerical Comparisonsmentioning

confidence: 93%

“…Furthermore, if properly implemented using Eq. (14), the generalized logistic curve parameters could be optimized for arbitrary thermal histories and not be restricted to isothermal and constant heating conditions.…”

Section: Numerical Comparisonsmentioning

confidence: 99%

“…The autocatalytic reaction form was also recognized early for the decomposition of organic crystals, particularly energetic materials [13], and the self-ignition of energetic materials has been successfully modeled with an extended form of the autocatalytic reaction [14]. It has also been used to model polymer decomposition [8,15], a wide variety of solid-state reactions [16], and in equilibriumlimited form, the phase transition of polymorphs of an energetic material [17].…”

Section: Introductionmentioning

confidence: 99%

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Use and misuse of logistic equations for modeling chemical kinetics

Burnham

2015

J Therm Anal Calorim

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A generalized logistic function has been proposed as a kinetic analysis method that is superior to traditional methods. In fact, the parameter s in the generalized logistic function has an effect on the reaction profile similar to the parameter n in the extended Prout-Tompkins model for autocatalytic reactions. Furthermore, the comparisons made in some papers to traditional methods were made by using the discredited method of determining kinetic parameters from a single heating rate, so they are misleading compared to proper kinetic analysis methods that simultaneously analyze multiple thermal histories. In addition, the current implementation of the generalized logistic function of fitting each experiment individually is prone to introduce errors in the kinetic parameters. Guidance is given on how the generalized logistic function might be used for proper chemical kinetic analysis.

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Section: Numerical Comparisonsmentioning

confidence: 93%

Section: Numerical Comparisonsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Use and misuse of logistic equations for modeling chemical kinetics

Burnham

2015

J Therm Anal Calorim

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“…The extended-Prout-Tompkins (e-PT) model is a nucleation and growth, global-kinetic-model [15,16] ; the e-PT model is shown in equation 4:…”

Section: Kinetic Modelsmentioning

confidence: 99%

The response of the HMX-based material PBXN-9 to thermal insults: Thermal decomposition kinetics and morphological changes

et al. 2011

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, an HMX-formulation, is thermally damaged and thermally decomposed in order to determine the morphological changes and decomposition kinetics that occur in the material after mild to moderate heating. The material and its constituents were decomposed using standard thermal analysis techniques (DSC and TGA) and the decomposition kinetics are reported using different kinetic models. Pressed parts and prill were thermally damaged, i.e. heated to temperatures that resulted in material changes but did not result in significant decomposition or explosion, and analyzed. In general, the thermally damaged samples showed a significant increase in porosity and decrease in density and a small amount of weight loss. These PBXN-9 samples appear to sustain more thermal damage than similar HMX-Viton A formulations and the most likely reasons are the decomposition/evaporation of a volatile plasticizer and a polymorphic transition of the HMX from  to  phase.

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“…Under conditions of thermogravimetric measurements, the influence of pressure is negligible [8]. In traditional terms the domain of u(T, a) function is an open area of the plane (T, a).…”

Section: Introductionmentioning

confidence: 99%

Analysis of (NH4)6Mo7O24·4H2O thermal decomposition in argon

Biedunkiewicz

Krawczyk

Gabriel-Półrolniczak

et al. 2013

J Therm Anal Calorim

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Nanometric carbides of transition metals and silicon are obtained by using precursors. Control of the course of these processes require data concerning transformations of single precursor, transformations of precursor in the presence of reducing agent and synthesis of the carbide. In this work, the way of investigating such processes is described on the example of thermal decomposition of (NH 4 ) 6 Mo 7 O 24 Á4H 2 O (precursor) in argon. The measurements were carried out by TG-DSC method. The solid products were identified by XRD method, and the gaseous products were determined by mass spectrometry method. There was demonstrated that the investigated process proceeded in five stages. Kinetic models (forms of f(a) and g(a) function) most consistent with experimental data and coefficients of Arrhenius equation A and E were determined for the stages. The Kissinger method and the Coats-Redfern equation were applied. In case of the Coats-Redfern equation, the calculations were performed by analogue method. In this way good consistency between the calculated and determined conversion degrees a(T) at practically constant values of A and E were obtained for distinguished stages and different sample heating rates.Keywords Decomposition of (NH 4 ) 6 Mo 7 O 24 Á4H 2 O in argon Á Thermal analysis Á Process kinetics Á Kissinger method Á Coats-Redfern equation Abbreviations APre-exponential Arrhenius factor/1 minConversion function dependent on mechanism of reaction f 0 (a m ) Derivative of f(a) function for maximal reaction rate u(T, a, P) Temperature, conversion degree and pressure function g(a)Integral form of kinetic model h(P)Pressure function k(T)Reaction rate constant/1 min

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A historical and current perspective on predicting thermal cookoff behavior

Cited by 52 publications

References 15 publications

Use and misuse of logistic equations for modeling chemical kinetics

Use and misuse of logistic equations for modeling chemical kinetics

The response of the HMX-based material PBXN-9 to thermal insults: Thermal decomposition kinetics and morphological changes

Analysis of (NH4)6Mo7O24·4H2O thermal decomposition in argon

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