Creation of 0.10-cm^-1resolution quantitative infrared spectral libraries for gas samples

Abstract

The National Institute of Standards and Technology (NIST) and the Pacific Northwest National Laboratory (PNNL) are independently creating quantitative, ~0.10 cm -1 resolution, infrared spectral libraries of vapor phase compounds. The NIST library will consist of approximately 100 vapor phase spectra of volatile hazardous air pollutants (HAPs) and suspected greenhouse gases. The PNNL library will consist of approximately 400 vapor phase spectra associated with DOE's remediation mission.A critical part of creating and validating any quantitative work involves independent verification based on inter-laboratory comparisons. The two laboratories use significantly different sample preparation and handling techniques. NIST uses gravimetric dilution and a continuous flowing sample while PNNL uses partial pressure dilution and a static sample. Agreement is generally found to be within the statistical uncertainties (k = 2, 2σ) of the Beer's law fit and less than 3 % of the total integrated band areas for the 4 chemicals used in this comparison. There does appear to be a small (~1.5 %) systematic difference between the PNNL and NIST data, however. Possible sources of the systematic difference will be discussed as well as technical details concerning the sample preparation and the procedures for overcoming instrumental artifacts.

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