Phenomenon of autocatalysis in decomposition of energetic chemicals

Chervin, Sima; Bodman, Glenn T.

doi:10.1016/s0040-6031(02)00122-3

Cited by 27 publications

(15 citation statements)

References 2 publications

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“…evaluated for the different combination of indexes (i,j) 5 (1,2), (2,3), and (1,3) over suitable temperature intervals provide a first estimate of the kinetic exponent p and q which are calculated as the mean values, respectively, of the intercepts and slopes of these lines…”

Section: Theoretical Considerationsmentioning

confidence: 99%

On the use of the generalized autocatalytic models: The thermal decomposition of 3,5‐dinitro‐4‐methylbenzoic acid

Sanchirico

2015

AIChE Journal

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The thermal decomposition of 3,5-dinitro-4-methylbenzoic acid is studied by means of differential calorimetric techniques (DSC). Its autocatalytic behaviour has been highlighted and the decomposition process has been described considering the generalized expression of the Sest ak-Berggren model. A new procedure for the optimization of the initiation parameter along with the other Arrhenius constants and kinetic exponents starting from the knowledge of the classic Sest ak-Berggren model is illustrated. Encouraging results point out the validity of the approach which has been verified considering both a series of numerical and real experiments.

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Section: Theoretical Considerationsmentioning

confidence: 99%

On the use of the generalized autocatalytic models: The thermal decomposition of 3,5‐dinitro‐4‐methylbenzoic acid

Sanchirico

2015

AIChE Journal

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“…This extreme value indicates that some other effect—besides the increased temperature—actually accelerates the reaction. Bou‐Diab and Fierz [18] studied the decomposition reactions of 100 fine chemicals and concluded that reactions with apparent activation energies > 53 kcal/mol were autocatalytic. Therefore, examination of the apparent temperature dependency by the Arrhenius plot may not only help to quantify the temperature dependency of the observed heat rate, but also provide insight into selecting the proper form of the kinetic model to be used.…”

Section: Kinetic Modelingmentioning

confidence: 99%

“…Reliable rate parameters will predict the induction times at different temperatures. The interested reader is also advised to refer to the work by Chervin and Bodman [18], which contains a good discussion on modeling autocatalytic decomposition reactions.…”

Section: Kinetic Modelingmentioning

confidence: 99%

Effective use of differential scanning calorimetry in reactive chemicals hazard evaluation

Frurip

Elwell

2006

Process Safety Progress

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DSC (differential scanning calorimetry) is one of the most commonly applied thermal stability testing methodologies in reactive chemicals hazard evaluation. This is certainly because of many factors, including the relative low cost of the equipment, rapid turnaround time of experiments, small sample size, ease of interpretation, relative accuracy of the calorimetric results, and the wide range of temperatures over which a DSC can operate. Traditionally DSC is mainly used as a screening method used to identify possible energy release hazards, which may require further, more sophisticated testing to elucidate and quantify the actual hazard. Practitioners have learned to maximize the information obtainable from DSC testing. This article highlights how DSC is applied to routine day‐to‐day hazard screening and summarizes the collective knowledge of Dow in this area for over 20 years. Some applications discussed include: recognizing thermal events from peak shape, high energy materials, chemical compatibility, and eliminating unnecessary testing. Also presented are examples of the limitations of DSC and examples where it should not be used. Finally, this article discusses how DSC may be used to estimate reaction kinetics by quantitative thermokinetic modeling. © 2006 American Institute of Chemical Engineers Process Saf Prog, 2007

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“…Nevertheless, these effects have not been studied in detail; most researchers tend to use their own preferred vessel for thermal risk assessment. Judging from recent research trends, pressure vessels seem to be the most commonly used in studying the relationship between the thermal reactivity and explosiveness of a chemical substance [4] [5] [6] [7] [8]; however, chemicals have also been examined using an aluminum pan [9] [10] [11], alumina vessel [12], and glass capillary tube [13].…”

Section: Introductionmentioning

confidence: 99%

Comparison between Glass and Stainless-Steel Vessels in Differential Scanning Calorimetry Estimation

Akiyoshi¹,

Okada²,

Usuba³

et al. 2017

AJAC

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Differential scanning calorimetry (DSC) provides easy screening for thermal hazard evaluation. Here, we investigate the difference between using glass and stainless-steel vessels on the DSC measurement of exothermic decomposition energy (Q DSC ) for 41 chemical substances (containing nitro, halogen, peroxide, and sulfur groups, and hydrazine bonds). Two borosilicate glass vessels (capillary and ampule) and one stainless-steel vessel were used. All Q DSC values obtained were investigated with reference to the permissible fluctuation range specified by the ASTM (American Society for Testing and Materials) international Both glass vessels produced very similar Q DSC values, despite different sample scales. The Q DSC values obtained with the glass vessels were generally roughly within the variation tolerance range of the stainless-steel vessel. Notable exceptions were halogen-or sulfur-containing compounds; these exhibited smaller Q DSC values with glass vessels in almost all cases. We will investigate whether certain structures in compounds react with stainless steel. The vessel material choice is crucial in evaluating the true reactivity of a substance.

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Phenomenon of autocatalysis in decomposition of energetic chemicals

Cited by 27 publications

References 2 publications

On the use of the generalized autocatalytic models: The thermal decomposition of 3,5‐dinitro‐4‐methylbenzoic acid

On the use of the generalized autocatalytic models: The thermal decomposition of 3,5‐dinitro‐4‐methylbenzoic acid

Effective use of differential scanning calorimetry in reactive chemicals hazard evaluation

Comparison between Glass and Stainless-Steel Vessels in Differential Scanning Calorimetry Estimation

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