Use this URL to cite or link to this record in EThOS: https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.771991
Title: The migration of plasticisers and interaction of nitrogen dioxide and water in nitrocellulose binder systems
Author: Richards, Lisa A.
Awarding Body: UCL (University College London)
Current Institution: University College London (University of London)
Date of Award: 2019
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Abstract:
A nitrocellulose binder holds the explosive ingredients together in a polymer bonded explosive or propellant. The binder dissipates energy from hazardous stimuli with the aim of producing a less sensitive explosive. To improve the overall mechanical properties of a binder a plasticiser is added, however plasticiser migration from the binder polymer matrix deteriorates the mechanical properties and reduces the service life of the energetic material. To assess the migration of the plasticisers 2,4-dinitroethylbenzene, 2,4,6-trinitroethylbenzene and 1-nitramino-2,3-dinitroxypropane from each of the nitrocellulose binders, diffusion coefficients and activation energies of diffusion were obtained for each plasticiser molecule via molecular dynamics simulation. The two nitrocellulose binder systems also underwent molecular dynamics simulations to investigate the interaction of water and nitrogen dioxide in each system. Reaction of nitrogen dioxide with water produces nitric acid which is thought to further react and degrade the nitrocellulose. Plasticiser migration was found to be faster in a nitrocellulose binder plasticised with 2,4-dinitroethylbenzene and 2,4,6-trinitroethylbenzene compared to a nitrocellulose binder plasticised with 2,4-dinitroethylbenzene and 1-nitramino-2,3-dinitroxypropane. The formation of nitric acid was more likely in a nitrocellulose binder plasticised with 2,4-dinitroethylbenzene and 2,4,6-trinitroethylbenzene compared to a nitrocellulose binder plasticised with 2,4-dinitroethylbenzene and 1-nitramino-2,3-dinitroxypropane. Force fields were parameterised for each binder component. Force fields were derived for the plasticiser molecules, the stabiliser ethyl centralite, nitrogen dioxide and nitrocellulose. The Lennard-Jones parameters were refined for each individual binder ingredient and the overall nitrocellulose binder systems until the simulated densities were within 2% of the experimental values.
Supervisor: De Leeuw, N. Sponsor: Not available
Qualification Name: Thesis (Ph.D.) Qualification Level: Doctoral
EThOS ID: uk.bl.ethos.771991  DOI: Not available
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