碳簇烧蚀物质热化学性质的计算

M. Priyadarshini, R. Jaffe, A. Munafò, M. Panesi
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引用次数: 3

摘要

碳团簇和碳氢化合物是注入具有碳质隔热罩的航天器边界层的热解气体的成分。这些分子在紫外和紫外区的吸收光谱与氮原子和氧原子的发射光谱相匹配。因此,它们可以潜在地吸收撞击在航天器隔热板上的辐射。本文用从头算量子化学方法研究了边界层中存在的潜在辐射吸收分子的基态热化学性质和低空激发态。这些结果可以更准确地预测表面的辐射热流密度,从而改进热防护系统的设计
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Calculation of Thermochemical Properties of Carbon-cluster Ablation Species
Carbon clusters and hydrocarbons are constituents of the pyrolysis gases injected into the boundary layer of a space vehicle with a carbonaceous heat shield. These molecules have absorption spectra in the VUV and UV region that match the emission spectra of atomic nitrogen and oxygen. Hence, they can potentially absorb the radiation impinging on the heat shield of the space vehicle. This paper studies the ground state thermochemical properties and low-lying excited electronic states of potential radiation absorbing molecules present in the boundary layer using ab initio quantum chemistry meth-ods. These results provide a more accurate prediction of the radiative heat flux on the surface which can lead to improvement in the design of the thermal protection system
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