Structure-Property Relationships in Energetic Materials

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Abstract

Colin Pulham
Edinburgh
Key properties of energetic materials (explosives and propellants) include reliable performance under a range of environmental conditions, long -term stability, environmental impact, processability, and sensitivity to accidental initiation through stimuli s uch as impact, shock, friction, and electrostatic discharge. Many of these properties are dependent on the crystal structure of the energetic material and how the molecules interact with each other within the crystal lattice. This talk will provide an introduction to energetic materials and highlight how intermolecular interactions can be modified by both pressure and temperature, as well as the technique of co -crystallisation whereby the energetic material is crystallised with one or more molecular compo nents in order to modify the properties of the components. Results will be presented to illustrate how crystal -engineering techniques can be used to modify intermolecular interactions (e.g. hydrogen bonding, π -π stacking) such that properties such as dens ity, solubility, and impact sensitivity of these materials can be tailored. In particular, experimentally measured impact sensitivities can be correlated with structural features in these materials. At the same time, the presentation will demonstrate how c omputational studies are able to shed light on how these structural features affect how the energy of shock and impact is distributed within intermolecular and intramolecular bonds. Download PDF

  • Venue

    Theatre C, Purdie, University of St. Andrews, St. Andrews, Fife, Scotland, UK

  • Venue Info

  • Date

    May 9, 2018

  • Time

    From: 15h30 To: 16h30

  • Sponsor

    University of St Andrews
    The oldest university in Scotland, with international renown for both research and education of undergraduates and postgraduates.

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