氢气的直接光解离和自发辐射解离

Direct Photodissociation and Spontaneous Radiative Dissociation of H2

  • 摘要: 本文系统研究了考虑温度效应(2.7 K-15000 K)条件下H2 的直接光解离过程。在局域热平衡假设条件(LTE)下计算了从基态至激发态 B^1\Sigma _\textu^+ 和 C^1\Pi _u 的振转分辨的直接光解离截面,并由对应的LTE截面进一步评估了不同温度下分子在黑体辐射场中的光解离速率。此外,本文还分析了激发态向低能连续区的自发辐射解离过程。计算结果表明:自发辐射解离是H2 分子重要的解离通道,并对激发态的自发辐射寿命产生显著影响。以 B^1\Sigma _\textu^+ 态为例,在ν'=12,J'=1时其自发辐射解离速率为5.127×108 s–1,在考虑该过程后,对应的总辐射寿命由2.120×10–9减至1.016×10–9 s。并且计算结果表明在低温和高温情况下H2 的自发辐射解离均占主导地位。所有计算均基于最新的高精度势能曲线和跃迁偶极矩,所得结果可为H2 分子解离动力学及相关模型研究提供高精度的参考数据。

     

    Abstract: This paper systematically investigates the direct photodissociation process of H2 considering temperature effects (2.7 K – 15000 K). Under the assumption of local thermodynamic equilibrium (LTE), we calculate the rovibrationally resolved direct photodissociation cross sections from the ground state to the excited states B^1\Sigma _\textu^+ and C^1\Pi _u . From the corresponding LTE cross sections, the photodissociation rates of the molecule in a blackbody radiation field at different temperatures are further evaluated. In addition, this paper analyzes the spontaneous radiative dissociation process from excited states to the low-energy continuum. Our calculations show that spontaneous radiative dissociation is an important dissociation channel for H2 and significantly affects the spontaneous emission lifetimes of the excited states. Taking the B^1\Sigma _\textu^+ state as an example, at ν' = 12, J' = 1 the spontaneous radiative dissociation rate is 5.127\times 10^8\;\texts^-1 . After including this process, the total radiative lifetime decreases from 2.120\times 10^-9 to 1.016\times 10^-9\;\texts . The results also indicate that spontaneous radiative dissociation dominates H2 dissociation under both low- and high-temperature conditions. All calculations are based on the latest high-precision potential energy curves and transition dipole moments, and the obtained results can provide high-precision reference data for studies on H2 dissociation dynamics and related models.

     

/

返回文章
返回