Ion chromatography of energetic materials at Sandia National Laboratories

Klassen, Sandra E.; Massis, T.M.; Boespflug, Elaine P.; Montoya, Bertha M.; Reif, J.

doi:10.1016/s0040-6031(01)00790-0

Cited by 16 publications

(12 citation statements)

References 2 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…The latter three metal species are normally used as dominant indicators of GSR using SEM-EDX [21]. Organic species bearing nitro, carboxylic acid and amine groups such as nitrotoluene, ascorbic acid, carbanilide, phenylamines and phthalate ester analogues should also be considered as a potential source of anionic species in GSR and could contribute increased levels of nitrite/nitrate, low molecular weight carboxylates (such as benzoate, phthalate or oxalate) and ammonium-based ions in addition to inorganic salt composition [22].…”

Section: Gsr Collection and Sample Preparationmentioning

confidence: 99%

Characterisation of gunshot residue from three ammunition types using suppressed anion exchange chromatography

Gilchrist¹,

Jongekrijg²,

Harvey³

et al. 2012

Forensic Science International

View full text Add to dashboard Cite

Section: Gsr Collection and Sample Preparationmentioning

confidence: 99%

Characterisation of gunshot residue from three ammunition types using suppressed anion exchange chromatography

Gilchrist¹,

Jongekrijg²,

Harvey³

et al. 2012

Forensic Science International

View full text Add to dashboard Cite

“…These salts, which include formate, acetate and oxalate, were also found to increase under certain accelerated thermal conditions. [Klassen 2002] According to Chambers et al, the organic salts are probably carried over from synthesis of the pentaerythritol starting material, and are not indicative of a major decomposition pathway. [Chambers 2002b] Pitchimani et al studied changes in morphology between the pure PETN and PETN doped with the nitrate salts of iron, calcium, sodium, and zinc.…”

Section: E) Impuritiesmentioning

confidence: 99%

Aging of Pentaerythritol Tetranitrate (PETN)

Foltz¹

2009

View full text Add to dashboard Cite

“…[10][11] Our simulation cell contains 4 PETN molecules (116 atoms, displayed in Figure 1(a)). In order to check the effect of simulation cell size, we have also carried out a short run (4.5ps) of a large simulation cell of 8 PETN molecules (232 atoms, displayed in Figure 1(b…”

Section: Computational Detailsmentioning

confidence: 99%

A Molecular Dynamics Study of Chemical Reactions of Solid Pentaerythritol Tetranitrate at Extreme Conditions

Wu¹,

Manaa²,

Fried³

2006

View full text Add to dashboard Cite

We have carried out density functional based tight binding (DFTB) molecular dynamics (MD) simulation to study energetic reactions of solid Pentaerythritol Tetranitrate (PETN) at conditions approximating the Chapman-Jouguet (CJ) detonation state. We found that the initial decomposition of PETN molecular solid is characterized by uni-molecular dissociation of the NO 2 groups. Interestingly, energy release from this powerful high explosive was found to proceed in several stages. The large portion of early stage energy release was found to be associated with the formation of H 2 O molecules within a few picoseconds of reaction. It took nearly four times as long for majority of CO 2 products to form, accompanied by a slow oscillatory conversion between CO and CO 2 . The production of N 2 starts after NO 2 loses its oxygen atoms to hydrogen or carbon atoms to form H 2 O or CO. We identified many intermediate species that emerge and contribute to reaction kinetics, and compared our simulation with a thermo-chemical equilibrium calculation. In addition, a detailed chemical kinetics of formation of H 2 O, CO, and CO 2 were developed. Rate constants of formations of H 2 O, CO 2 and N 2 were reported.

show abstract

Ion chromatography of energetic materials at Sandia National Laboratories

Cited by 16 publications

References 2 publications

Characterisation of gunshot residue from three ammunition types using suppressed anion exchange chromatography

Characterisation of gunshot residue from three ammunition types using suppressed anion exchange chromatography

Aging of Pentaerythritol Tetranitrate (PETN)

A Molecular Dynamics Study of Chemical Reactions of Solid Pentaerythritol Tetranitrate at Extreme Conditions

Contact Info

Product

Resources

About