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Branch dependence of halfwidths: Theoretical analysis of N2-broadened halfwidths of CH3Br in the v6 band
Journal of Quantitative Spectroscopy and Radiative Transfer ( IF 2.3 ) Pub Date : 2024-03-17 , DOI: 10.1016/j.jqsrt.2024.108972
Q. Ma , C. Boulet

The N-broadened halfwidths of CHBr in the ν band have been calculated, along with the relaxation matrices W. These calculations employ our modified and refined versions of the Robert-Bonamy formalism. Extensive comparisons between the predicted halfwidths from the models and experimental measurements at = 296 K are presented. Our latest model very closely matches the measurements. Meanwhile, we considered line mixing effects in the spectral profile of the RQ(j,0) sub-branch. Our method probably yields too large values of the off-diagonal elements of W. Finally, by comparing our calculated halfwidths with the data in HITRAN, we have observed generally good agreement, especially for lines with high values of j. However, the agreement becomes poor for lines with low values of j, deteriorating as j decreases. We identified a factor contributing to this poor agreement: the neglect of branch dependence in the development of HITRAN data. We believe that for lines with low values of j, this oversight undermines the reliability of the halfwidth values of CHBr in HITRAN.

中文翻译:

半宽度的分支依赖性:v6 频带中 CH3Br 的 N2 展宽半宽度的理论分析

已经计算了 ν 带中 CHBr 的 N 展宽半宽度以及弛豫矩阵 W。这些计算采用了我们对 Robert-Bonamy 形式主义的修改和改进版本。对模型预测的半宽度与 = 296 K 时的实验测量值进行了广泛比较。我们的最新型号与测量结果非常吻合。同时,我们考虑了 RQ(j,0) 子支的光谱轮廓中的线混合效应。我们的方法可能会产生太大的 W 非对角线元素值。最后,通过将我们计算的半宽度与 HITRAN 中的数据进行比较,我们观察到总体上具有良好的一致性,特别是对于具有高 j 值的线。然而,对于 j 值较低的线,一致性会变差,并且随着 j 的减小而恶化。我们发现了造成这种不一致的一个因素:在 HITRAN 数据开发中忽略了分支依赖性。我们认为,对于 j 值较低的线路,这种疏忽会破坏 HITRAN 中 CHBr 半宽值的可靠性。
更新日期:2024-03-17
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