Investigating the transport of gases and decomposition pathways in plasticized nitrocellulose materials

摘要

Nitrocellulose is a complex energetic polymer widely used throughout the propellants industry, with explosive properties once the nitrogen content is above 12.6 %. During the storage of nitrocellulose, degradation occurs through a series of steps. As a result, a number of gases are produced including NO_2, which is thought to lead to autocatalysis of nitrocellulose decomposition. Stabilisers are often added to nitrocellulose propellant formulations, which absorb these decomposition products and plasticisers are added to satisfy mechanical properties and safety requirements. The transport and solubility of gases in plasticised nitrocellulose will be investigated. The dominant degradation and autocatalytic processes of nitrocellulose will be examined using density functional theory. Preliminary studies will investigate the proposed mechanisms for homolytic fission, intramolecular HNO_2 elimination and acid hydrolysis.