Conformational analysis of nitrocellulose model compoounds

Nitrocellulose (NC) is a ubiquitous, energetic binder in many gun and rocket propellants. Little is known about the molecular conformations which it may adopt, how these conformations depend on the degree of substitution of the chain and how plasticizers such as nitroglycerin interact with NC at the molecular level. Molecular conformation of polymers, including NC, is considered responsible for the transitions which occur in many physical properties at specific temperatures. Such transitions, which have been studied by DMA, DSC and similar techniques, can markedly influence polymer mechanical properties such as fracture toughness. Conformational analysis has been undertaken on several models of NC which consist of one or two glucopyranose rings containing varying numbers of nitrate substituents. Conformations were calculated by a classical potential energy method and compared with the proton NMR spectra of Carignan and Malinowski.