A morphological investigation of soot produced by the detonation of munitions

Pantea, Dana; Brochu, Sylvie; Thiboutot, Sonia; Ampleman, Guy; Scholz, G. A.

doi:10.1016/j.chemosphere.2006.03.027

Cited by 80 publications

(77 citation statements)

References 15 publications

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“…The prominent peak around 26.5 o is attributed to the graphite (002) diffraction, and the weak peak around 43.7 o , matching that of the diamond (111) diffraction, indicates the presence of a small amount of cubic diamond. The most distinct feature of the measured XRD spectra is a strong peak at 30 o that does not match any previously known carbon phases [36][37][38]; the high intensity and sharpness of this peak along with its consistent presence in different experiments suggest that a new crystalline carbon phase has been produced. Our simulated XRD results show that the main (101) diffraction peak of bco-C 16 perfectly matches this previously unexplained peak.…”

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confidence: 92%

“…These values meet the criteria for mechanical stability given by C 11 , C 22 , C 33 , C 44 , C 55 , and C 66 > 0, [C 11 + C 22 + TABLE I: Calculated equilibrium structural parameters (space group, volume V0, lattice parameters a, b, and c, bond lengths dC−C ), total energy Etot, bulk modulus B0, and electronic band gap Eg for bco-C16 along with cR6, cT8, rh6, oC8 carbon, graphite, and diamond at zero pressure, compared to available experimental data [56]. [36] and chimney soot [37]. X-ray wavelength is 1.5406Å with a copper source.…”

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confidence: 99%

“…Totalenergy calculations show that bco-C 16 is comparable to solid fcc-C 60 in energetic stability, and its dynamic stability is verified by phonon and molecular dynamics simulations. An excellent match of simulated and measured x-ray diffraction spectra indicates the presence of bco-C 16 in detonation and chimney soot [36][37][38]. Electronic band structure calculations show that bco-C 16 belongs to a new class of topological node-line semimetals, which exhibit novel electronic and transport properties [39][40][41][42][43][44][45][46][47][48].…”

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confidence: 99%

“…To establish the experimental connection of bco-C 16 , we compare its simulated x-ray diffraction (XRD) spectra, along with those of graphite, diamond, rh6, cT8, cR6, fcc-C 60 , to the experimental data from detonation soot of TNT/diesel oil [36] and chimney soot [37] as shown in Fig. 3.…”

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confidence: 99%

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Body-Centered OrthorhombicC16: A Novel Topological Node-Line Semimetal

et al. 2016

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Body-Centered OrthorhombicC16: A Novel Topological Node-Line Semimetal

et al. 2016

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“…Experimentally most information about these processes is obtained from the detonation of oxygen deficient explosives ͑TNT, TATB, nitromethane, etc.͒ which produces nonnegligible quantities of carbon materials such as carbon blacks containing up to a few 10% of monocrystalline nanodiamonds. [1][2][3][4] A recent study by Pantea et al 5 suggests that determining the characteristic composition and structures of these carbonaceous residues may provide information that may be used to identify the detonated explosive.…”

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confidence: 99%

Theoretical study of the nucleation/growth process of carbon clusters under pressure

Pineau

Soulard

Los

et al. 2008

The Journal of Chemical Physics

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We used molecular dynamics and the empirical potential for carbon LCBOPII to simulate the nucleation/growth process of carbon clusters both in vacuum and under pressure. In vacuum, our results show that the growth process is homogeneous and yields mainly sp 2 structures such as fullerenes. We used an argon gas and Lennard-Jones potentials to mimic the high pressures and temperatures reached during the detonation of carbon-rich explosives. We found that these extreme thermodynamic conditions do not affect substantially the topologies of the clusters formed in the process. However, our estimation of the growth rates under pressure are in much better agreement with the values estimated experimentally than our vacuum simulations. The formation of sp 3 carbon was negligible both in vacuum and under pressure which suggests that larger simulation times and cluster sizes are needed to allow the nucleation of nanodiamonds.

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Desorption of nitramine and nitroaromatic explosive residues from soils detonated under controlled conditions

Douglas

Walsh

McGrath

et al. 2010

Enviro Toxic and Chemistry

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Potentially toxic nitroaromatic and nitramine compounds are introduced onto soils during detonation of explosives. The present study was conducted to investigate the desorption and transformation of explosive compounds loaded onto three soils through controlled detonation. The soils were proximally detonated with Composition B, a commonly used military explosive containing 2,4,6-trinitrotoluene (TNT), hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX), and octahydro 1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX). Gas-exchangeable surface areas were measured from pristine and detonated soils. Aqueous batches of detonated soils were prepared by mixing each soil with ultrapure water. Samples were collected for 141 d and concentrations of Composition B compounds and TNT transformation products 2-amino-4,6-dinitrotoluene (2ADNT), 4-amino-2,6-dinitrotoluene (4ADNT), and 1,3,5-trinitrobenzene (1,3,5-TNB) were measured. The RDX, HMX, and TNT concentrations in detonated soil batches exhibited first-order physical desorption for the first, roughly, 10 d and then reached steady state apparent equilibrium within 40 d. An aqueous batch containing powdered Composition B in water was sampled over time to quantify TNT, RDX, and HMX dissolution from undetonated Composition B particles. The TNT, RDX, and HMX concentrations in aqueous batches of pure Composition B reached equilibrium within 6, 11, and 20 d, respectively. Detonated soils exhibited lower gas-exchangeable surface areas than their pristine counterparts. This is likely due to an explosive residue coating on detonated soil surfaces, shock-induced compaction, sintering, and/or partial fusion of soil particles under the intense heat associated with detonation. Our results suggest that explosive compounds loaded to soils through detonation take longer to reach equilibrium concentrations in aqueous batches than soils loaded with explosive residues through aqueous addition. This is likely due to the heterogeneous interactions between explosive residues and soil particle surfaces.

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A morphological investigation of soot produced by the detonation of munitions

Cited by 80 publications

References 15 publications

Body-Centered OrthorhombicC16: A Novel Topological Node-Line Semimetal

Body-Centered OrthorhombicC16: A Novel Topological Node-Line Semimetal

Theoretical study of the nucleation/growth process of carbon clusters under pressure

Desorption of nitramine and nitroaromatic explosive residues from soils detonated under controlled conditions

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