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为揭示气相硼在氧化气氛中的燃烧机理特征,通过优化Yetter模型,建立了新的B/O/H/C体系气相燃烧化学动力学模型,通过改变初始温度、压强、水蒸气以及氧气摩尔分数模拟了均质气相燃烧化学过程,研究其对平衡温度和硼氧化物平衡摩尔分数的影响,并通过净反应速率分析和敏感性分析确定了各个硼氧化物生成和消耗反应式以及该体系下重要的化学反应路径。结果表明:体系平衡后,硼元素主要以HBO2、HBO、BO、BO2、B2O2和B2O3的形式存在,其中,HBO2在硼氧化物中为主要的产物;提高初始温度和压强能够缩短体系达到平衡所需时间以及提高体系平衡温度;增大氧气和水蒸气摩尔分数能够改变体系的平衡温度,并对硼氧化物平衡摩尔分数产生一定的影响;通过净反应速率分析和敏感性分析得到了26个重要的含硼反应式,可供相关基元反应研究提供理论参考。
In order to reveal the combustion mechanism of gaseous boron in oxidizing atmosphere, a new combustion kinetic model of B / O / H / C system was established by optimizing Yetter model. By changing the initial temperature, pressure, water vapor and oxygen mole fraction The chemical process of homogeneous gas-phase combustion was simulated to study its influence on the equilibrium temperature and the equilibrium mole fraction of boron oxide. The net reaction rate and sensitivity analysis were used to determine the formation and consumption of each boron oxide and the importance of the system Chemical reaction path. The results show that boron is mainly existed in the form of HBO2, HBO, BO, BO2, B2O2 and B2O3 after the system is balanced, among which HBO2 is the main product in boron oxide; increasing the initial temperature and pressure can shorten the system to balance The time required and the equilibrium temperature of the system were increased. Increasing the mole fraction of oxygen and water vapor could change the equilibrium temperature of the system and had some influence on the equilibrium mole fraction of boron oxide. By the net reaction rate analysis and sensitivity analysis, 26 important Boron-containing reaction formula, which can provide theoretical reference for the related elementary reactions.