Real time low temperature decomposition of explosives - PETN

Volltrauer, H.

doi:10.1016/0304-3894(82)85023-1

Cited by 15 publications

(14 citation statements)

References 0 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…The homolytic cleavage of the O-NO 2 bond (Equation (1)) is found to be the most kinetically and energetically favorable decomposition channel of the PETN molecule [88] and the (101) and (110) PETN surfaces [87]. The calculated BDE (~35 kcal/mol, Table 1) is in good agreement with the differential scanning calorimetry (DSC) measurement of 32.6 kcal/mol [86] and with a range of earlier experimental studies, 35.0 [85]–39.5 [82,89]. The elimination of the nitrous acid (HONO) (Equation (2)) is also considered a possible decomposition channel for nitro compounds containing a hydrogen atom in the β-position relative to a nitro group.…”

Section: Resultssupporting

confidence: 74%

“…Commonly registered products of PETN decomposition are CO, CO 2 , NO, N 2 O, CH 2 O, HCN, HNCO, and most researchers agree that the initial decomposition step is the O-NO 2 bond homolysis [78]. Reported experimental activation energies, E a , of PETN decomposition are largely scattered, ranging from 30 to 70 kcal/mol [79,80,81,82,83,84,85,86]. Potential ground state decomposition mechanisms of PETN were recently scrupulously explored [87].…”

Section: Resultsmentioning

confidence: 99%

See 1 more Smart Citation

Molecular Theory of Detonation Initiation: Insight from First Principles Modeling of the Decomposition Mechanisms of Organic Nitro Energetic Materials

2016

View full text Add to dashboard Cite

This review presents a concept, which assumes that thermal decomposition processes play a major role in defining the sensitivity of organic energetic materials to detonation initiation. As a science and engineering community we are still far away from having a comprehensive molecular detonation initiation theory in a widely agreed upon form. However, recent advances in experimental and theoretical methods allow for a constructive and rigorous approach to design and test the theory or at least some of its fundamental building blocks. In this review, we analyzed a set of select experimental and theoretical articles, which were augmented by our own first principles modeling and simulations, to reveal new trends in energetic materials and to refine known existing correlations between their structures, properties, and functions. Our consideration is intentionally limited to the processes of thermally stimulated chemical reactions at the earliest stage of decomposition of molecules and materials containing defects.

show abstract

Section: Resultssupporting

confidence: 74%

Section: Resultsmentioning

confidence: 99%

Molecular Theory of Detonation Initiation: Insight from First Principles Modeling of the Decomposition Mechanisms of Organic Nitro Energetic Materials

2016

View full text Add to dashboard Cite

show abstract

“…Similar observations were reported earlier by Ng et al who monitored the total pressure of PETN heated under high vacuum.reason is used to delineate between low-and high-temperature phenomenona. In addition, lowtemperature accelerated outgassing and decomposition are relevant to shelf-life issues.The lowest temperature work to date was reported in 1982 by Volltrauer et al37 This work It is believed that the autocatalytic reaction proceeds through a complicated series of consecutive free radical intermediates. Kimura supports the consensus that nitrate esters initially decompose by homolytic cleavage of the O-NO 2 bond forming an alkoxy radical and NO 2 as shown in Eq.…”

mentioning

confidence: 99%

Perspectives on Pentaerythritol Tetranitrate (PETN) Decomposition

Chambers¹,

Brackett²,

Sparkman³

2002

View full text Add to dashboard Cite

This report evaluates the large body of work involving the decomposition of PETN and identifies the major decomposition routes and byproducts. From these studies it becomes apparent that the PETN decomposition mechanisms and the resulting byproducts are primarily determined by the chemical environment. In the absence of water, PETN can decompose through the scission of the O-NO 2 bond resulting in the formation of an alkoxy radical and NO 2. Because of the relatively high reactivity of both these initial byproducts, they are believed to drive a number of autocatalytic reactions eventually forming (NO 2 OCH 2) 3 CCHO, (NO 2 OCH 2) 2 C=CHONO 2 , NO 2 OCH=C=CHONO 2 , (NO 2 OCH 2) 3 C-NO 2 , (NO 2 OCH 2) 2 C(NO 2) 2 , NO 2 OCH 2 C(NO 2) 3 , and C(NO 2) 4 as well as polymer-like species such as di-PEHN and tri-PEON. Surprisingly, the products of many of these proposed autocatalytic reactions have never been analytically validated. Conversely, in the presence of water, PETN has been shown to decompose primarily to mono, di, and tri nitrates of pentaerythritol.

show abstract

“…When the NO/NOx chemiluminescence data of Volltrauer is extrapolated to 30ºC, a half-life of 12 million years is predicted. [Volltrauer 1982] PETN has been found to show no signs of decomposition when stored for as long as 18 months at 100ºC. In fact analytical and stability tests have indicated the stability of PETN is improved by prolonged heating in water at 100ºC.…”

Section: A) Particle Size/morphologymentioning

confidence: 99%

“…The investigators believed this emission was due to desorption of adsorbed NO 2 . [Volltrauer 1982] This desorption may initiate autocatalytic 27 decomposition. 28 [Chambers 2002a] Kruppa et al studied the thermal decomposition of PETN that was crash precipitated followed by thermal treatment, and found that vaporization is the predominant process up to the melting point.…”

Section: A) Temperaturementioning

confidence: 99%

Aging of Pentaerythritol Tetranitrate (PETN)

Foltz¹

2009

View full text Add to dashboard Cite

Real time low temperature decomposition of explosives - PETN

Cited by 15 publications

References 0 publications

Molecular Theory of Detonation Initiation: Insight from First Principles Modeling of the Decomposition Mechanisms of Organic Nitro Energetic Materials

Molecular Theory of Detonation Initiation: Insight from First Principles Modeling of the Decomposition Mechanisms of Organic Nitro Energetic Materials

Perspectives on Pentaerythritol Tetranitrate (PETN) Decomposition

Aging of Pentaerythritol Tetranitrate (PETN)

Contact Info

Product

Resources

About