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首页> 外文期刊>The Journal of Chemical Physics >INTERBRANCH LINE-MIXING IN CO2 (10(0)1) AND (02(0)1) COMBINATION BANDS
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INTERBRANCH LINE-MIXING IN CO2 (10(0)1) AND (02(0)1) COMBINATION BANDS

机译：CO2（10（0）1）和（02（0）1）组合带中的行间混合

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摘要

Absorption spectra from a mixture of 320 ppm CO2 in synthetic air (79% N-2, 21% O-2) were collected in the region from 3500 cm(-1) to 4000 cm(-1) under conditions in the range of 100-1000 atm and 295-900 K. At 295 K, both bands of the (10 degrees 1), (02 degrees 1) Fermi dyad show the collapse of P and R branches into a single nearly Lorentzian spectral feature as a result of interbranch line-mixing. At elevated temperatures, the presence of interbranch mixing is also clearly evident as is the presence of several hot bands. The experimental data are modeled using two methods for simulating line-mixed spectra; first, the usual line-by-line approach which relies on the binary impact approximation, and second, a simple band-averaged model proposed by Hartmann and L'Haridon [J. Chem. Phys. 103, 6467 (1995)]. The energy corrected sudden (ECS) approximation is used to generate the relaxation matrix in the first approach. Comparison with the measurement shows that the ECS method does not fit the high density data satisfactorily when adjustable parameters from the literature are used; the level of interbranch mixing must be decreased by about a factor of 2 relative to intrabranch mixing and at least 5% dephasing must be added to the ECS matrix. With these changes, the room temperature data are modeled satisfactorily, but significant discrepancies are still present in the high temperature spectra. On the other hand, the simpler band-averaged model does provide a reasonable estimate of the spectra for all temperatures when best fit values are used for mixing and broadening, but the low density data are not reproduced as well as with the ECS model. Data from high pressure absorption measurements in a 1% NO in N-2 mixture as well as a 0.5% CH4 in N-2 mixture are also presented without analysis, showing the effects of interbranch line-mixing in these spectra. (C) 1997 American Institute of Physics. [References: 24]
机译：在以下条件下，在3500 cm（-1）至4000 cm（-1）的范围内，收集了320 ppm二氧化碳在合成空气（79％N-2、21％O-2）中的混合物的吸收光谱。 100-1000 atm和295-900K。在295 K时，（10度1），（02度1）费米二极子的两个频带都显示出P和R分支坍塌成单个近洛伦兹谱特征，这是由于分行间混合。在升高的温度下，分支间混合的存在也很明显，几个热带也存在。使用两种模拟线混合谱的方法对实验数据进行建模。首先，通常的逐行方法依赖于二进制冲击近似，其次，由Hartmann和L'Haridon提出的简单的带平均模型[J.化学物理103，6467（1995）]。在第一种方法中，使用能量校正的突然（ECS）近似值生成松弛矩阵。与测量结果的比较表明，当使用文献中的可调参数时，ECS方法不能令人满意地拟合高密度数据。相对于分支内混合，分支间混合的水平必须降低大约2倍，并且必须将至少5％的相移添加到ECS矩阵中。通过这些更改，可以令人满意地对室温数据进行建模，但是高温光谱中仍然存在重大差异。另一方面，当使用最佳拟合值进行混合和展宽时，更简单的带平均模型确实可以为所有温度提供合理的光谱估计，但与ECS模型一样，低密度数据也无法再现。在没有分析的情况下，也提供了在1％NO的N-2混合物以及0.5％CH4的N-2混合物中的高压吸收测量数据，没有显示分支间混合在这些光谱中的影响。 （C）1997美国物理研究所。 [参考：24]

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