Sonocrystallization as a tool for controlling crystalline explosivemorphology and inclusion content

Stoltz, Chad; Mason, Brian P.; Roberts, Colin W.; Hira, Steven M.; Strouse, Geoffrey F.

doi:10.1063/1.3686360

Cited by 3 publications

(1 citation statement)

References 6 publications

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“…By pre-saturating cyclohexanone with water, the equilibrium is shifted away from the cyclohexanone-TAX condensation product, thereby avoiding the formation of inclusions. Another method to avoid the production of inclusions is offered by Stolz et al (10). The group produced crystals with very few inclusions and improved sensitivity with a combination of sonication and control of the solvent evaporation rate.…”

Section: Introductionmentioning

confidence: 99%

Characterization of Cyclohexanone Inclusions in Class 1 RDX

Pesce‐Rodriguez¹,

Piraino²

2014

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Section: Introductionmentioning

confidence: 99%

Characterization of Cyclohexanone Inclusions in Class 1 RDX

Pesce‐Rodriguez¹,

Piraino²

2014

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A study of the solvent effect on the morphology of RDX crystal by molecular modeling method

et al. 2013

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Molecular dynamics simulations have been performed to investigate the effect of acetone solvent on the crystal morphology of RDX. The results show that the growth morphology of RDX crystal in vacuum is dominated by the (111), (020), (200), (002), and (210) faces using the BFDH laws, and (111) face is morphologically the most important. The analysis of surface structures of RDX crystal indicates that (020) face is non-polar, while (210), (111), (002), and (200) faces are polar among which (210) face has the strongest polarity. The interaction between acetone solvent and each RDX crystal face is different, and the order of binding energy on these surfaces is (210) > (111) > (002) > (200) > (020). The analysis of interactions among RDX and acetone molecules reveal that the system nonbond interactions are primary strong van der Waals and electrostatic interactions containing π-hole interactions, the weak hydrogen bond interactions are also existent. The effect of acetone on the growth of RDX crystal can be evaluated by comparing the binding energies of RDX crystalline faces. It can be predicted that compared to that in vacuum, in the process of RDX crystallization from acetone, the morphological importance of (210) face is increased more and (111) face is not the most important among RDX polar surfaces, while the non-polar (020) face probably disappears. The experimentally obtained RDX morphology grown from acetone is in agreement with the theoretical prediction.

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