Correlated k coefficients for H2-He atmospheres; 30 spectral windows and 1460 pressure-temperature points

There are 108 correlated k-coefficients datasets, using the naming convention sonora_2020_fehxxxx_co_yyy.data.196.tar.gz (78 models) or sonora_2020_fehxxxx_co_yyy_noTiOVO.data.196.tar.gz (78 models), where xxxx is the metallicity in 10x dex relative to solar, and yyy is the 100x C/O ratio relative to solar, as a multiplication factor. For example a metallicity of +000 and a C/O ratio of 100 indicates solar abundances, feh+070 should be read as a metallicity of +0.7 dex, feh-100 as -1.0 dex, co_025 should be read as 0.25x C/O relative to solar, and co_200 as 2x C/O relative to solar. We use the Lodders et al. 2010 value for the solar C/O=0.458. The files with “noTiOVO” in the filename contain the correlated k-coefficients calculated without the opacity of TiO and VO. The rest of the molecular abundances and opacities are the same as the equilibrium chemistry values in the regular files. These files are useful for calculating models without any TiO- and VO-induced temperature inversion in the atmosphere.

The correlated-k coefficients are calculated using pre-mixed opacities, with abundances given by equilibrium chemistry for each metallicity-C/O combination, as described in Marley et al. 2021. There are 13 Fe/H values: 0.0, 0.3, 0.5, 0.7, 1.0, 1.3, 1.5, 1.7, 2.0, -0.3, -0.5, -0.7, and -1.0; and 6 C/O values: 0.25, 0.5, 1.0, 1.5, 2.0 and 2.5. The k-coefficients are calculated for a grid of 1460 pressure-temperature points, from10^−6 to 3000 bar and from 75 to 4000 K, listed in the file 1460_layer_list, and can be read in using the IDL script read_k_coefficients_1460.pro. The spectral windows are listed in the file 30_windows.txt (intervals defined as starting at lambda1 and ending at lambda2).

The opacity sources included in the calculations are: C2H2, C2H4, C2H6, CH4, CO, CO2, CrH, Fe, FeH, H2, H3+, H2O, H2S, HCN, LiCl, LiF, LiH, MgH, N2, NH3, OCS, PH3, SiO, TiO, and VO, in addition to alkali metals (Li, Na, K, Rb, Cs). The corresponding high resolution opacities for these atoms and molecules can be found in the Zenodo repository 10.5281/zenodo.6600976. The references for the line lists used in these opacity calculations are listed in the file Opacity_references_2021.pdf. Please include these references, as well as the reference to this Zenodo repository when publishing your paper.

Each dataset contains the following files:

ascii_data: the correlated k coefficients file in ascii format. This can be read by the included IDL code.

binary_data: the correlated k coefficients file in binary format

full_abunds: the relative abundances for all the species from the chemistry files, on the 1460-point pressure-temperature grid

sum_in_atoms: relative abundances for the alkali metals

sum_in_layer: relative abundances for all molecules included in the correlated k-coefficients calculations

本数据集包含108组关联k系数（correlated k-coefficients）数据，命名规则遵循sonora_2020_fehxxxx_co_yyy.data.196.tar.gz（共78个模型）或sonora_2020_fehxxxx_co_yyy_noTiOVO.data.196.tar.gz（同样包含78个模型）。其中xxxx代表以10倍太阳对数丰度单位（dex）表示的金属丰度，yyy代表以100倍太阳C/O比作为缩放因子的碳氧比。例如，当xxxx为+000且yyy为100时，对应太阳丰度：feh+070应解读为金属丰度+0.7 dex，feh-100对应金属丰度-1.0 dex；co_025应解读为C/O比为太阳值的0.25倍，co_200则对应太阳值的2倍。本数据集采用Lodders等人2010年给出的太阳C/O比值0.458。文件名中带有noTiOVO的数据组，其关联k系数未包含TiO和VO的不透明度，其余分子丰度与不透明度均与常规文件中的平衡化学结果一致，此类文件可用于计算大气中不存在TiO与VO诱导温度反转的模型。

关联k系数采用预混合不透明度计算得到，各组分丰度由每种金属丰度-C/O组合下的平衡化学过程给出，详细方法参见Marley等人2021年的研究。本数据集覆盖13组铁氢比（Fe/H）取值：0.0、0.3、0.5、0.7、1.0、1.3、1.5、1.7、2.0、-0.3、-0.5、-0.7及-1.0；以及6组C/O比取值：0.25、0.5、1.0、1.5、2.0及2.5。关联k系数针对1460个压强-温度点网格计算得到，压强范围为10^−6至3000 bar，温度范围为75至4000 K，网格点列表存储于文件1460_layer_list中，可通过IDL脚本read_k_coefficients_1460.pro读取。光谱窗口信息存储于文件30_windows.txt中，其区间定义为从λ1至λ2。

本次计算包含的不透明度来源包括：C2H2、C2H4、C2H6、CH4、CO、CO2、CrH、Fe、FeH、H2、H3+、H2O、H2S、HCN、LiCl、LiF、LiH、MgH、N2、NH3、OCS、PH3、SiO、TiO及VO，此外还包含碱金属（Li、Na、K、Rb、Cs）。上述原子与分子对应的高分辨率不透明度数据可在Zenodo仓储库10.5281/zenodo.6600976中获取。本不透明度计算所使用的谱线表参考文献信息存储于文件Opacity_references_2021.pdf中，在您发表论文时，请一并引用该参考文献以及本Zenodo仓储库。

每组数据集包含以下文件：
ascii_data：ASCII格式的关联k系数文件，可通过附带的IDL代码读取；
binary_data：二进制格式的关联k系数文件；
full_abunds：1460个压强-温度点网格上所有物种的相对丰度（源自化学文件）；
sum_in_atoms：碱金属的相对丰度；
sum_in_layer：关联k系数计算中包含的所有分子的相对丰度。