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- W2354156734 abstract "1,3-di( azidoacetoxy)-2,2-di( azidomethyl) propane( PEAA) is an azido compound with a low glass tran- sition temperature and a high nitrogen content. It has a great potential as the candidate of energetic plasticizers. In this paper,the molecular structure,infrared spectrum,thermodynamic functions,enthalpy of formation,detonation perfor- mance,and specific impulse of PEAA were studied using the density functional theory. The crystal structure and crystal density were predicted using the molecular mechanics method. The bond dissociation energies of several possible thermal trigger bonds were calculated. Results show that the thermal decomposition of PEAA starts fr om the rupture of the N N bond in the azidoacetoxy group. The process is completed synergistically via the transfer of H to the —N3 group to eliminate N2. The required activation energy is about 162 kJ / mol. PEAA has a better thermal stability than DATH( 1,7-diazido-2, 4,6-trinitro-2,4,6-triazaheptane),an azido plasticizer with practical applications. The influence of PEAA on the perfor- mance of the nitramine modified double-base propellants has been studied. Results show that replacing NG or RDX with PEAA slightly decreases the detonation velocity and detonation pressure,while increases the output energy and specific impulse of the propellants." @default.
- W2354156734 created "2016-06-24" @default.
- W2354156734 creator A5060183246 @default.
- W2354156734 date "2013-01-01" @default.
- W2354156734 modified "2023-09-26" @default.
- W2354156734 title "Theoretical Study on the Structure,Properties,and Thermal Decomposition Mechanism of the Azido Compound 1,3-di(azidoacetoxy)-2,2-di(azidomethyl) Propane (PEAA)" @default.
- W2354156734 hasPublicationYear "2013" @default.
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