文献类型：期刊文献

英文题名：The Catalytic Decomposition Mechanism of Hydroxylamine Nitrate on the Ru(101) Surface

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

机构：[1] Key Laboratory of Specially Functional Polymeric Materials and Related Technology [Ministry of Education], School of Chemistry and Molecular Engineering, East China University of Science and Technology, China; [2] Shanghai Institute of Space Propulsion, Shanghai Engineering Research Center of Space Engine, Shanghai, 201112, China

年份：2025

外文期刊名：SSRN

收录：EI(收录号：20250452090)

语种：英文

外文关键词：Ammonium hydroxide - Catalysis - Catalysts - Chemical bonds - Decomposition - Nitrogen oxides - Quantum chemistry - Ruthenium compounds

摘要：To address the need for low-cost hydroxylamine nitrate (HAN) propellant decomposition catalysts, research was conducted to investigate the catalytic reaction mechanism of Ru-based catalysts. Quantum chemical calculation methods were employed to study the catalytic decomposition mechanism of HAN molecules on the Ru(101) surface. The research results show that HAN primarily adsorbs on the catalyst surface in the form of Ru-O bond. First, the N-O bond in the NO3-group of HAN undergoes cleavage, generating NO2 and O. Subsequently, O reacts with NH3OH, abstracting two H atoms to form NH2O and H2O. After the decomposition of HAN is completed, NH2O and NO2 undergo independent catalytic decomposition. For NH2O, the process starts with the cleavage of the N-O bond, ultimately forming N and H2O, while for NO2, the decomposition involves the detachment of O atoms, eventually transforming N and O. ? 2025, The Authors. All rights reserved.