The NIST Quantitative Infrared Database
The NIST Quantitative Infrared Database
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DOI：
10.6028/jres.104.004
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发表时间：
1999-02-01
影响因子：
1.5
通讯作者：
Lafferty WJ
中科院分区：
文献类型：
--
作者：
Chu PM;Guenther FR;Rhoderick GC;Lafferty WJ
随着傅里叶变换红外(FTIR)光谱仪的发展，将这些仪器放置在野外环境中变得更加可行。因此，FTIR技术在各种定性和定量化学测量中的应用有了极大的增加。这些方法提供了许多分析物的全自动实时定量的可能性；因此，FTIR作为一种分析工具具有很大的潜力。最近，美国环境保护署(U.S.EPA)开发了使用提取FTIR测量和开放路径FTIR测量的排放监测协议方法。根据分析物、实验条件和分析物矩阵的不同，可以测量1990年美国环保局《清洁空气法修正案》(CAAA)中列出的大约100种有害空气污染物(HAP)。美国国家标准与技术研究所(NIST)启动了一项计划，根据NIST准备的初级气体标准提供有质量保证的红外吸收系数数据。目前，已经获得了大约20个HAP的吸收系数数据。利用−-1分辨率为0.12 cm的9个透过率光谱和比尔定律关系，计算了各化合物的吸收系数光谱。从透过率数据的线性回归和考虑其他误差源，如非线性探测器响应，估计了吸收系数数据中的不确定度。当吸收系数大于1×10−4μ−1 m−1时，平均相对扩展不确定度为2.2%。这个定量的红外数据库目前是NIST正在进行的一个项目。额外的光谱将在获得时添加到数据库中。我们目前的计划包括继续获取CAAA中所列化合物的数据，以及导致全球变暖和臭氧消耗的化合物。
With the recent developments in Fourier transform infrared (FTIR) spectrometers it is becoming more feasible to place these instruments in field environments. As a result, there has been enormous increase in the use of FTIR techniques for a variety of qualitative and quantitative chemical measurements. These methods offer the possibility of fully automated real-time quantitation of many analytes; therefore FTIR has great potential as an analytical tool. Recently, the U.S. Environmental Protection Agency (U.S.EPA) has developed protocol methods for emissions monitoring using both extractive and open-path FTIR measurements. Depending upon the analyte, the experimental conditions and the analyte matrix, approximately 100 of the hazardous air pollutants (HAPs) listed in the 1990 U.S.EPA Clean Air Act amendment (CAAA) can be measured. The National Institute of Standards and Technology (NIST) has initiated a program to provide quality-assured infrared absorption coefficient data based on NIST prepared primary gas standards. Currently, absorption coefficient data has been acquired for approximately 20 of the HAPs. For each compound, the absorption coefficient spectrum was calculated using nine transmittance spectra at 0.12 cm−1 resolution and the Beer’s law relationship. The uncertainties in the absorption coefficient data were estimated from the linear regressions of the transmittance data and considerations of other error sources such as the nonlinear detector response. For absorption coefficient values greater than 1 × 10−4 μmol/mol)−1 m−1 the average relative expanded uncertainty is 2.2 %. This quantitative infrared database is currently an ongoing project at NIST. Additional spectra will be added to the database as they are acquired. Our current plans include continued data acquisition of the compounds listed in the CAAA, as well as the compounds that contribute to global warming and ozone depletion.