应用于FTIR气体监测的HITRAN数据库分子标准吸收截面计算方法研究

根据HITRAN数据库中分子吸收谱线的积分线强和一些谱线相关参数(中心位置、压力展宽半宽度、温度依赖系数等),研究了应用于FTIR气体监测的HITRAN数据库分子标准吸收截面计算方法,主要包括线强温度修正,谱线展宽,谱线卷积,逐线积分和数值算法.以甲烷为例给出采用矩形(Boxcar)和三角(Triangular)两种截断函数得到的1cm-1分辨率下甲烷分子标准吸收截面数据.     

CO_2分子4.3μ带谱带模型参数的理论计算

本文研究了CO_2分子4.3μ带谱带模型参数的计算方法,对积分带强度公式进行了修正,基于谱线积分线强度和谱线间隔表达式导出谱带模型参数:平均吸收系数(S/d)和谱线平均密度(1/d)的计算公式。并在很宽的温度范围内系统地计算了CO_2分子4.3μ带的谱带模型参数(S/d)和(1/d)。结果表明,低温下同位数~(13)CO_2对参数(S/d)的影响不可忽略,高温下必须考虑足够多“热带” 的贡献。 文中还应用统计谱带模型计算了各种光学路径下CO_2分子4.3μ带的发射光谱,其结果和实验光谱比较,符合甚好。     

逐线积分气体吸收模型及其在NDIR气体检测中的应用

介绍了一种精确的逐线积分痕量气体吸收模型,模型适用于中红外波段大气环境中痕量气体、污染气体检测的理论研究和工程应用。首先介绍了气体辐射特性的理论计算方法和现有逐线积分大气模 型,比较了各自的优劣性,其次详述了逐线积分计算的理论: 吸收系数是温度、波长、气体浓度和相关吸收线参数的函数,单条谱线的平均吸收系数是积分线强与谱线线型的卷积,在不同的大气条件下选 择不同的线型。最后,详细描述了模型的算法细节,并给出了模型计算的结果与傅里叶变换光谱仪实测数据的对比,举例介绍了吸收模型在NDIR气体探测技术中的实际应用,并使用该模型模拟了NDIR探 测器两个通道的信号强度随尾气中CO₂,CO浓度变化的关系,通过计算确定了NDIR探测器合适的工作范围。所述模型利用HITRAN光谱数据库,考虑了展宽、线翼截断、温度修正、光谱分辨 率变化等情况,可以有效的模拟大气环境中多种气体的红外吸收特征。     

高温窑炉气体红外辐射被动遥测EI北大核心CSCD

基于傅里叶变换红外光谱技术对高温窑炉内气体红外辐射信号进行了遥测研究。根据工业现场条件,利用大气辐射原理建立被动辐射模型,计算了炉膛内高温气体透射率。针对湍流噪声对信噪比的影响,研究了红外干涉信号光谱转换的数据处理方法,以零光程差为基准对齐干涉信号,以实现多次扫描干涉信号的平均,减小了噪声和计算量,并提高了光谱数据率。利用HITRAN数据库和高温参考谱模型法,对谱线线强、线宽修正合成的校准光谱与透射谱进行非线性最小二乘拟合,反演了炉膛内不同吸收波段的高温气体浓度。结果表明该技术在窑炉内及其他工业燃烧过程中对高温气体的在线检测是可行、可靠的。     

高温窑炉气体红外辐射被动遥测

基于傅里叶变换红外光谱技术对高温窑炉内气体红外辐射信号进行了遥测研究。根据工业现场条件,利用大气辐射原理建立被动辐射模型,计算了炉膛内高温气体透射率。针对湍流噪声对信噪比的影响,研究了红外干涉信号光谱转换的数据处理方法,以零光程差为基准对齐干涉信号,以实现多次扫描干涉信号的平均,减小了噪声和计算量,并提高了光谱数据率。利用HITRAN数据库和高温参考谱模型法,对谱线线强、线宽修正合成的校准光谱与透射谱进行非线性最小二乘拟合,反演了炉膛内不同吸收波段的高温气体浓度。结果表明该技术在窑炉内及其他工业燃烧过程中对高温气体的在线检测是可行、可靠的。     

水蒸气有效带宽计算的宽带k分布模型

本文在计算吸收系数几率分布函数时引入普朗克函数加权,建立了一种新的宽带k分布模型.用该模型计算了水蒸气重要谱带的有效带宽, 并与逐线计算、Edwards指数宽谱带模型和以前的一些宽带k分布模型作了比较.结果表明积分格式对结果影响不大.对2.7μm和1.87μm谱带,本文提出的宽带k分布模型和逐线计算结果吻合;对6.3μm谱带,最大相对误差大约为10%,比指数宽谱带模型和以前的宽带k分布模型更准确.     

新颖的高温流场红外辐射物性参数计算方法

为解决高速飞行器红外辐射特性研究中高温气体辐射参数计算问题,在转动平滑谱带（smeared rotational band, SRB）模型的假设下,首次提出基于贝叶斯估计的跳转马尔科夫链蒙特卡罗（reversible jump Markov chain monte carlo, RJMCMC）方法来计算高温流场中气体组分红外光谱物性参数。仿真计算和实验测量表明,仅需很少的先验知识,且不需要相关跃迁系数,该方法可以很好的估计主要振动跃迁带的位置,所提取的SRB模型参数的变化规律与SRB理论模型结果一致,利用拟合参数计算得到不同温度下谱带积分发射和吸收系数与逐线计算的结果非常近似。     

1.573μm处CO_2高温谱线参数研究

在吸收光谱测量,特别是高温光谱测量中,吸收分子谱线参数的准确性非常重要,目前普遍使用的HITRAN/HITEMP2004数据库中给出的各项参数具有一定的不确定性,为了对所选1.573μm处的9条可用于燃烧诊断的CO2谱线参数进行校准,文章采用窄线宽二极管激光器作为光源,结合自行搭建的实验室高温测量系统,记录了300～800 K温度范围内所选谱线的高温吸收光谱,获得了各谱线在相应温度下的谱线强度、空气加宽系数及其温度指数等谱线参数.通过实验结果与HITRAN/HITEMP2004数据库中数据间的对比发现两者之间吻合较好,其中谱线强度相对偏差小于3%,空气加宽系数及其温度指数相对偏差分别小于5%和2%.所有各项参数对以后将要进行的燃烧诊断中的CO2浓度监测会有很大帮助.     

2.0 μm处CO2高温谱线参数测量研究

研究高温下待测气体的谱线属性, 如谱线强度、自加宽系数、空气加宽系数、温度系数等, 为高温环境中可调谐半导体激光吸收光谱技术反演温度、浓度、速度及其场分布提高精度和可靠性起着十分重要的作用. HITEMP数据库中的数据基本上是理论计算结果, 与实际情况存在相当的误差. 为了获得所选2.0 μm处的可用于燃烧诊断的CO₂谱线参数, 本文采用半导体激光器作为光源, 结合实验室的高温测量系统, 记录了700–1300 K温度范围内所选谱线的高温吸收光谱, 获得了各谱线在相应温度下的谱线强度、自展宽系数及温度系数等谱线参数. 测量得到CO₂的5006.978 cm^-1和5007.7874 cm^-1谱线强度与理论计算值相对误差小于11%; 获得了现有数据库缺少的温度系数和高温下自展宽系数数据. 所有各项参数对以后将要进行的燃烧诊断中的CO₂浓度检测有很大帮助. 关键词： 可调谐半导体激光吸收光谱 高温光谱 自展宽系数 温度系数     

燃气流红外空间扫描方程近似解

本文以CO_2(4.3μm)为发射与吸收介质,讨论轴对称燃气流低分辨率红外空间扫描方程的反演.使用洛仑茨线的随机谱带模型,指数-倒数线强分布函数和Curtis-Godson近似表示透过率.建立了通过已知吸收气体浓密分布,由辐射传递方程反演温度分布的迭代法.计算试验说明:此迭代法较为简单,收敛迅速,计算精度高.分析说明在较低温度和使用较大波数时,辐射强度误差对温度解的影响变小.推演得到由辐射传递方程和透过率方程求解吸收气体浓度分布的近似公式.此近似公式和温度迭代法组成了主动式红外空间扫描的近似反演.计算试验说明此反演法较为简单,计算精度可满足工程测温的要求.     

Comparison of band model and integrated line-by-line synthetic spectra for methane in the 2.3 μm region

The 2.3 μm spectral region of methane can be used to retrieve cloud properties of planetary spectra, provided parameters for the methane spectrum are known. Two standard techniques for calculating absorption spectra in this region are compared here. A Voigt profile Mayer-Goody random band model is applied, using coefficients empirically fitted by Fink et al. to CH₄ spectra recorded with high absorping amounts at 10 cm^?1 resolution. Calculation of the absorption is also done with a line-by-line direct integration method for the same gas conditions using molecular parameters obtained by combining an older unpublished list of observed positions and estimated line strengths (derived from 0.04 cm^?1 resolution data) with quantum assignments from the literature. The molecular parameters have been evaluated for the 4180–4590 cm^?1 region by comparing new laboratory spectra with 0.01 cm^?1 resolution recorded at 296 and 153K with synthetic spectra calculated at the same conditions. The deficiencies of the molecular parameters and random band coefficients for this spectral region of CH₄ are then discussed qualitatively and demonstrated by comparing 10 cm^?1 resolution synthetic spectra calculated by both methods for the same gas conditions at 296, 153, and 55 K.Curves of growth of the total equivalent width are calculated at 296 and 55K for a pathlength of 50 cm and pressures up to 10 atm. Changing the mean line spacing in the band model gives better agreement between the spectra calculated by the two techniques at low gas temperatures. The required multiplier has been determined for the mean line spacing for pressures from 10^?6 to 10^?1 atm at 55, 100, and 150 K.     

Remote sensing of high temperature H2O-CO2-CO mixture with a correlated k-distribution fictitious gas method and the single-mixture gas assumption

Infrared spectra of high temperature H₂O-CO₂-CO mixtures are calculated using narrow band models in order to simulate hot jet signature at long distance. The correlated k-distribution with fictitious gas (CKFG) approach generally gives accurate data in such situations (especially for long atmospheric paths) but results in long computation time in cases involving mixtures of gases. This time may be reduced if the mixture is treated as a single gas (single-mixture gas assumption, SMG). Thus the lines of the single-mixture gas are assigned to the fictitious gases. In this study, the accuracy of two narrow band models is evaluated. The first narrow band model considers one single-mixture gas and no fictitious gas (CK-SMG) whereas the second model accounts for one single-mixture gas and three fictitious gases (CKFG-SMG). Both narrow band models are compared with reference spectra calculated with a line-by-line (LBL) approach. As expected, the narrow band accuracy is improved by the fictitious gas (FG) assumption particularly when long atmospheric paths are involved. Concerning the SMG assumption, it may lead to an underestimation of about 10% depending on the variation of the gas mixture composition ratio. Nevertheless, in most of realistic situations the SMG assumption results in negligible errors and may be used for remote sensing of plume signature.     

Calculations and measurements of N2O absorption at high temperature in the 4.5 μm region

An approximate N₂O spectroscopic database suitable for high temperature and medium resolution applications has been created in the 4.5 μm region. Intensities of ¹⁴N₂ ¹⁶O hot bands have been extrapolated pragmatically from the v₃ band intensity and energies of vibrational levels have been computed by diagonalization of the effective Hamiltonian. The new parameters have been merged with the data available in the HITRAN database and in the recent experimental work of Toth. The entire list has then been used to generate individual line parameters. Pure N₂O spectra have been recorded with a Fourier Transform spectrometer up to 900 K and with 1 cm⁻¹ resolution. A good agreement between these spectra and line-by-line calculations using the new database is obtained while the use of HITRAN greatly underestimates absorption at high temperature.     

1.5μm处CO2与CO高温线强的实验分析与理论计算

本文在采用乘积近似方法计算二氧化碳、一氧化碳分子总的配分函数(其中分子的振动配分函数采用谐振子近似, 转动配分函数采用非刚性转子模型, 并考虑了离心扭曲修正)的基础上, 利用所得配分函数和振动跃迁矩平方的实验值以及Herman-Wallis系数, 计算了1.5 μm 附近二氧化碳30012–00001跃迁带和一氧化碳3–0跃迁带在300–6000 K温度范围内部分温度下的吸收线强; 为验证计算方法和结果的准确性, 在基于可调谐二极管激光吸收光谱技术搭建的高温测量系统中, 对300–800 K温度范围内部分谱线线强进行了测量, 并把计算结果、测量结果及HITRAN数据库中对应数据进行了对比, 发现相对偏差小于3%, 证明了本方法的有效性, 同时计算及测量所得高温线强数据可对HITRAN数据库进行有效的校正和补充.     

Line parameters of the oxygen A band and calculation of the atmospheric transmission functions for the A, B, and γ bands

Self- and nitrogen-broadened absorptions of the oxygen A band have been measured using a long pathlength, multiple-traversal absorption cell. Comparison of measured band absorptions with values calculated from the line parameters determined by several investigators under high resolution shows that the line intensities and half-widths reported by Miller, Giver, and Boese provide the best agreement with our data. Atmospheric transmissions for the oxygen A, B, and γ bands have been evaluated by line-by-line integration for these line parameters.     

Fe靶激光等离子体25～60nm波段光谱实验研究

以McPHERSON247型掠入射软X射线 真空紫外单色仪配合5900Magnum通道电子倍增器,测量了Fe靶在高真空环境下的纳秒激光等离子体25～60nm波段的EUV光谱,单色仪理论光谱分辨率Δλ≤0.038nm,波长扫描间隔0.1nm。在上述波段内测得了FeVI及FeV的强发射线丛,认证出14根强谱线。     

Spectral line finding program for atmospheric remote sensing using full radiation transfer

We have developed a line-by-line code to simulate atmospheric spectra in the infrared spectral region assuming a remote light source of selectable temperature. Selecting the source temperature allows simulation of, for example, solar absorption spectra, lunar absorption spectra or emission spectra. The code is applicable for different geometries, from the ground, balloon or from satellite, and allows a simple search for the most suitable lines for the retrieval of atmospheric trace gas concentrations for the different geometries. In addition, a first estimate of the optimized microwindow size and the most important interfering gases that need to be considered is calculated automatically. This approach is of importance in cases where it is necessary to analyze numerous lines simultaneously to get sufficient precision in the trace gas concentration retrievals. Examples for H₂O and CO are given.     

基于差频中红外激光的痕量气体高分辨光谱检测研究

研究了基于差频光源的高分辨中红外激光光谱检测系统,差频中红外光源使用两台近红外半导体激光器作为种子光源,采用PPLN晶体作为非线性混频器件,结合准相位匹配技术实现了3.2～3.7μm中红外相干光源输出,最大差频输出功率约为1μW.以CH4为例检验了系统的高分辨红外光谱检测特性,选择CH4分子3028.751cm-1 v3基频吸收线作为分析谱线,10cm光程的检测限为0.8ppm.光谱数据分析表明,系统检测限主要受到标准具光学噪音的限制.