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High-temperature mid-infrared absorption spectra of methanol (CH3OH) and ethanol (C2H5OH) between 930 and 1170?cm-1

DOI:10.1016/j.jqsrt.2018.11.034 期刊:Journal of Quantitative Spectroscopy and Radiative Transfer 出版年份:2019 更新时间:2025-09-23 15:23:52
摘要: A methodology was recently developed with a broad-tuning, rapid-scan external-cavity quantum-cascade-laser in conjunction with shock tube facilities to measure the high-temperature mid-infrared absorption spectra of gaseous molecules. This technique is deployed to measure the cross section profiles in the C-O stretching band for methanol (CH3OH) and ethanol (C2H5OH) between 930 and 1170 cm-1. Methanol spectra are presented from 620 to 1304K between 0.98-3.30 atm with distinctive P, Q, and R branches of the ν8 vibrational band. At elevated temperatures, the emergence of hotbands and high-J ro-vibrational transitions are clearly observed. The absorption cross sections of ethanol are measured from 296 to 1018K between 0.90-3.27 atm. The peak strength decreases with temperature, with the peak location shifting to lower wavenumbers. These measurements are compared with existing empirical models, illustrating a strong need for the development of a high-temperature spectroscopic database.
作者: Y. Ding,C.L. Strand,R.K. Hanson
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To measure the high-temperature mid-infrared absorption spectra of methanol and ethanol in the C-O stretching band between 930 and 1170 cm-1 using a rapid-scan external-cavity quantum-cascade-laser and shock tube facilities, and to compare these measurements with existing empirical models to highlight the need for a high-temperature spectroscopic database.

An experimental cross section database for methanol and ethanol at high temperatures was established, showing temperature-broadening effects and negligible pressure dependence. Discrepancies with HITRAN 2016 indicate the need to include high-J transitions and hotbands in models. The methodology provides validation data for spectroscopic model development and supports applications in combustion science and other fields.

The maximum temperature was limited by the rate of laser tuning relative to the rate of target species thermal decomposition. Under-sampling due to the spectral interval of the laser may miss narrow absorption features. Uncertainties arise from temperature and pressure fluctuations, especially during thermal decomposition.

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