硫化镁(MgS)分子的辐射结合

IF 5.8 2区 物理与天体物理 Q1 ASTRONOMY & ASTROPHYSICS
Qinghui Wei, Yang Chen, Lidan Xiao, F. Boris Minaev, Hans Ågren, Bing Yan
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引用次数: 0

摘要

针对富碳恒星的相关天体物理问题MgS的形成,我们采用量子力学从头算方法预测了形成硫化镁分子的镁和硫原子的辐射缔合截面和缔合速率系数。这是通过计算对辐射关联过程有重要贡献的发射性11Π→X1Σ+、11Δ→11Π和13Σ−→a3Π跃迁来完成的。原子基态Mg(1S)和亚稳激发态S(1D)代表了所研究的辐射缔合通道中最低的单重态解离极限,而基态Mg(1S)和S(3P)代表了这些通道中最低的三重态解离极限。计算结果表明,在10 ~ 10 000 K的温度范围内,Mg(1S)和S(1D)原子碰撞辐射缔合形成Mg粒子时,11Π→X1Σ+跃迁主导形成Mg粒子,而在更高温度下,11Δ→11Π跃迁起重要作用。单重态-单重态跃迁的总速率系数为3.78 × 10−18 cm3 s−1 ~ 4.79 × 10−17 cm3 s−1,而三重态-三重态跃迁的总速率系数为2.02 × 10−22 cm3 s−1 ~ 6.79 × 10−18 cm3 s−1。利用三参数拟合Arrhenius-Kooij函数对这些总速率系数进行拟合,以期对天体建模有所帮助。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Radiative association of the magnesium sulfide (MgS) molecule
Addressing the formation for MgS, a relevant astrophysical problem for carbon rich stars, we have employed quantum mechanical ab initio calculations to predict the radiative association cross section and association rate coefficient of magnesium and sulfur atoms forming the magnesium sulfide molecule. This was accomplished by accounting for the emissive 11Π → X1Σ+, 11Δ → 11Π, and 13Σ →a3Π transitions that make significant contributions to the radiative association process. The atomic ground state, Mg(1S), and the metastable excited state, S(1D), represent the lowest singlet dissociation limit common for the studied radiative association channels, whereas the ground states Mg(1S) and S(3P) represent the lowest triplet dissociation limit for these channels. The computational results show that in the temperature range of 10-10 000 K, the 11Π → X1Σ+ transition dominates the formation of MgS through radiative association in the collision of Mg(1S) and S(1D) atoms, while the 11Δ → 11Π transition plays an important role at higher temperatures. The total rate coefficient for the singlet-singlet transitions ranges from 3.78 × 10−18 cm3 s−1 to 4.79 × 10−17 cm3 s−1, while that for the triplet-triplet transition ranges from 2.02 × 10−22 cm3 s−1 to 6.79 × 10−18 cm3 s−1. These total rate coefficients were fit using the three-parameter fit Arrhenius-Kooij function, which is expected to be helpful for the celestial modeling.
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来源期刊
Astronomy & Astrophysics
Astronomy & Astrophysics 地学天文-天文与天体物理
CiteScore
10.20
自引率
27.70%
发文量
2105
审稿时长
1-2 weeks
期刊介绍: Astronomy & Astrophysics is an international Journal that publishes papers on all aspects of astronomy and astrophysics (theoretical, observational, and instrumental) independently of the techniques used to obtain the results.
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