文献类型：期刊文献

英文题名：A multiscale approach to the catalytic decomposition and combustion of HAN propellant droplets

作者：Shi, Zihan[1];Hu, Xu[1];Shen, Yu[1];Yao, Tianliang[2];Huang, Yongmin[1]

机构：[1]East China Univ Sci & Technol, Sch Chem & Mol Engn, Key Lab Specially Funct Polymer Mat & Related Tech, Minist Educ, Shanghai 200237, Peoples R China;[2]Shanghai Engn Res Ctr Space Engine, Shanghai Inst Space Prop, Shanghai 201112, Peoples R China

年份：2026

卷号：336

外文期刊名：CHEMICAL ENGINEERING SCIENCE

收录：;EI(收录号：20262821066824);Scopus(收录号：2-s2.0-105043964242);WOS:【SCI-EXPANDED(收录号:WOS:001821771400001)】；

基金：This work is sponsored by the National Nature Science Foundation of China (No.22509060) , the Fundamental Research Funds for the Central Universities (No. JKD01261701) and Program of Shanghai Academic/Technology Research Leader (No. 22XD1422000) .

语种：英文

外文关键词：Hydroxylamine nitrate; Decomposition; DFT; Numerical simulation

摘要：Hydroxylamine nitrate-based ionic liquid propellants are promising green energetic materials, yet they suffer from long ignition delays. In this study, a multi-scale numerical framework is developed to investigate the catalytic droplet combustion of a HAN/HN/Methanol blend on an Ir(111) surface. DFT-derived heterogeneous kinetic parameters are transferred into the VOF-based CFD framework as effective volumetric source-term parameters through a homogenized surface-to-volume conversion. The VOF method, together with UDFs is utilized to capture the complex evolution from surface tension-driven wetting to gas-phase deflagration within a porousmedium environment. Results indicate that the droplet ignition process can be characterized by three distinct stages: (i) liquid dispersion driven by internal high pressure from initial decomposition, (ii) an ignition delay phase characterized by the rapid accumulation of oxidizing radicals, and (iii) a steady combustion phase governed by gas-phase reactions. The predicted ignition-stage sequence and total combustion timescale are compared with high-speed imaging observations, suggesting that the present parameter-transfer model can capture the dominant combustion timescale. These findings provide a computational framework and mechanistic insight for optimizing the pore structure of catalyst beds and improving the ignition response of high-energy green monopropellant engines.