Abstract
Hydrazine nitrate (HN) is an efficient additive for hydrazine based monopropellant to decrease the freezing temperature. Density functional theory calculation was carried out to investigate the catalytic decomposition of HN on Ir(100) surface. The most stable molecular structure of HN was identified, while the optimized adsorption configurations of HN on Ir(100) were calculated. Three decomposition pathways over Ir(100) have been found. The scission of N-O bond in HNO3 group happens in all three pathways. When HN is adsorbed by HNO3 group, the N2H4 group exhibits dehydrogenation when at bridge and desorption at top site. The scission of N-N bond can be found when HN is adsorbed by N2H4 group. The rate expressions based on Arrhenius parameters for referred reactions were obtained by transition state theory. Compared with the activation energy of each elementary reaction, the scission of N-O bond in HNO3 group is key to the decomposition rate of HN.
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