不同温度压力对浓度反演精度的定量分析

王钰豪; 刘建国; 徐亮; 刘文清; 宋庆利; 金岭; 徐寒杨

doi:10.7498/aps.70.20201672

摘要

自研傅里叶变换红外光谱仪在龙凤山大气本底站测量CO₂, CH₄等温室气体. 自研仪器的测量结果与符合世界气象组织标准的本底站仪器的测量结果进行对比, 结果表明: 自研仪器与本底站仪器测量的CO₂浓度值相关系数为0.9576, 均方根误差为18.6015. 自研仪器使用标准温度、压力下的校准光谱反演浓度, 但测量气体的温度随着气温变化, 导致自研仪器反演浓度有误差. 基于以上分析, 提取高分辨率透射分子吸收数据库参数计算吸收截面并结合仪器线形计算不同温度、压力下的校准光谱, 根据不同温度、压力下的校准光谱来校准反演浓度. 校准后, 自研与本底站仪器测量的CO₂浓度值相关系数为0.9637, 均方根误差为6.7800. 自研与本底站仪器测量的CO₂浓度值相关系数提高, 绝对误差减小, 说明校准算法提高了测量结果的精确度.

关键词:

Abstract

The CO₂, CH₄ and other greenhouse gases are measured by using a home-made Fourier transform infrared spectrometer at the Longfengshan atmospheric background station. Compared with the measurement results of the instrument from the background station which meets the standards of the World Meteorological Organization, the correlation coefficient and the root mean square error of the CO₂ concentration value are 0.9576 and 18.6015, so the measurement results from the home-made instrument are reliable. In the home-made instrument the calibration spectrum of standard temperature and the calibration spectrum of stand pressure are used to invert the concentration. With the temperature changing, the temperature of the measured gas will vary, thus resulting in error. The research of environmental variable factors can improve the accuracy of concentration inversion. For example, compared with CO₂ absorption spectrum under 296 K, the CO₂ absorption spectrum under 297 K will have 1.8% spectrum deviation and its inversion concentration error is 0.41%. This is the main cause of inversion concentration error. Based on the above analysis, the absorption cross section is calculated by using the high-resolution transmission molecular absorption database parameters. Combining with the instrument line shape, the calibration spectra at different temperatures and pressures can be obtained. The calibration spectra at different temperatures and pressures are used to calibrate the concentration inversion. After calibration, compared with the measurement results of the background station instrument, the correlation coefficient and the root mean square error of the CO₂ concentration value are 0.9637 and 6.7803. The correlation coefficient of CO₂ concentration value measured by self-developed instrument is improved and root mean square error is reduced. The result shows that the calibration algorithm enhances the accuracy of the measurement results to a certain extent. The above results illustrate the reliability of the home-made FTIR instrument and this experiment provides important data, which lay the foundation forstudying the home-made Fourier transform infrared spectrometer. Of course, improvement can be made in the following areas. Other minor factors may affect the effect of the inversion algorithm. The concentration inversion will have subtle differences at different bands of calibration spectra. So in order to improve the measurement accuracy, we need to choice more reasonable band inversion and more precise parameters from the high-resolution transmission molecular absorption database.

Keywords:

FTIR /
greenhouse gases /
temperature /
pressure

作者及机构信息

1.
中国科学技术大学环境科学与光电技术学院, 合肥　230026

2.
中国科学院合肥物质科学研究院, 安徽光学精密机械研究所, 中国科学院环境光学与技术重点实验室, 合肥　230031

3.
黑龙江龙凤山大气成分本底国家野外科学观测研究站, 哈尔滨　150209

通信作者: 徐亮, xuliang@aiofm.ac.cn

基金项目: 国家自然科学基金(批准号: 41941011)、中国科学院前沿科学重点研究项目(批准号: QYZDY-SSW-DQC016)、国家重点研发计划(批准号: 2016YFC0201002, 2016YFC0803001-08)、安徽省重点研究和发展计划(批准号: 1804d08020300)资助的课题

Authors and contacts

1.
School of Environmental Science and Optoelectronic Technology, University of Science and Technology of China, Heifei 230026, China

2.
Key Laboratory of Environmental Optics and Technology, Anhui Institute of Optics and Fine Mechanics, Hefei Institute of Physical Science, Chinese Academy of Sciences, Hefei 230031, China

3.
National Field Scientific Observation and Research Station of Atmospheric Composition Background in Longfeng Mountain, Heilongjiang Province, Harbin 150209, China

Corresponding author: Xu Liang, xuliang@aiofm.ac.cn

Funds: Project supported by the National Natural Science Foundation of China (Grant No. 41941011), the Key Research Program of Frontier Sciences of Chinese Academy of Sciences (Grant No. QYZDY-SSW-DQC016), the National Key R&D Program of China (Grant Nos. 2016YFC0201002, 2016YFC0803001-08), the Key RD Program of Anhui Province, China (Grant No. 1804d08020300)

文章全文 : translate this paragraph

参考文献

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[2]	Hodgkinson J, Smith R, Ho W O, Saffell J R, Tatam R P 2013 Sens. Actuators, B 186 580 Google Scholar
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施引文献

图 1 干涉仪

Fig. 1. Interferometer.

下载: 全尺寸图片幻灯片

图 2 (a)仪器主机在线测量状态; (b)仪器外界进气口

Fig. 2. (a) Online measurement status of instrument host; (b) external air inlet of the instrument.

下载: 全尺寸图片幻灯片

图 3 (a) CO₂在2290—2380 cm^–1的光谱线强度S_ij; (b) CO₂在2290—2380 cm^–1的吸收系数k_ij; (c) CO₂仿真吸光度谱A_ij

Fig. 3. (a) the spectral line intensity S_ij at 2290–2380 cm^–1 of CO₂; (b) absorption coefficient k_ij at 2290–2380 cm^–1 of CO₂; (c) simulated absorbance spectrum A_ij of CO₂.

下载: 全尺寸图片幻灯片

图 4 (a) CO₂在2290—2380 cm^–1的仿真吸光度谱A_ij; (b) 297—306 K下仿真吸光度谱相比于296 K仿真吸收光谱在拟合波段的残差

Fig. 4. (a) The simulated absorbance spectrum A_ij under 286–306 K of CO₂; (b) the residual of the simulated absorbance spectrum at 297–306 K compared to the simulated absorption spectrum at 296 K in the fitted band.

下载: 全尺寸图片幻灯片

图 5 (a)光谱数据(1000—3500 cm^–1); (b)光谱数据的一致性

Fig. 5. (a) Spectral data; (b) consistency of spectral data.

下载: 全尺寸图片幻灯片

图 6 (a) CO₂浓度趋势对比; (b) CO₂浓度值线性拟合; (c)校准后CO₂浓度趋势对比; (d)校准后CO₂浓度值线性拟合

Fig. 6. (a) CO₂ concentration trend comparison; (b) CO₂ concentration value linear fitting; (c) CO₂ concentration trend comparison after calibration; (d) linear fitting of CO₂ concentration value after calibration.

下载: 全尺寸图片幻灯片

[1]	Keeling C D, Whorf T P, Wahlen M, Van der Plichtt J 1995 Nature 375 666 Google Scholar
[2]	Hodgkinson J, Smith R, Ho W O, Saffell J R, Tatam R P 2013 Sens. Actuators, B 186 580 Google Scholar
[3]	Chen H, Winderlich J, Gerbig C, Hoefer A, Rella C W, Crosson E R, Van Pelt A D, Steinbach J, Kolle O, Beck V, Daube B C, Gottlieb E W, Chow V Y, Santoni G W, Wofsy S C 2010 Atmos. Meas. Tech. 3 375 Google Scholar
[4]	程巳阳, 徐亮, 高闽光, 金岭, 李胜, 冯书香, 刘建国, 刘文清 2013 物理学报 62 124206 Google Scholar Cheng S Y, Xu L, Cao M G, Jin L, Li S, Feng S X, Liu J G, Liu W Q 2013 Acta Phys. Sin. 62 124206 Google Scholar
[5]	Zhang C, Liu C, Hu Q, Cai Z, Su W, Xia C, Zhu Y, Wang S, Liu J 2019 Light- Sci. Appl. 8 1 Google Scholar
[6]	Zhang C, Liu C, Chan K L, Hu Q, Liu H, Li B, Xing C, Tan W, Zhou H, Si F 2020 Light-Sci. Appl. 9 1 Google Scholar
[7]	Lamouroux J, Régalia L, Thomas X, Vander Auwera J, Gamache R, Hartmann J M 2015 J. Quant. Spectrosc. Radiat. Transfer 151 88 Google Scholar
[8]	Griffith D W 1996 Appl. Spectrosc. 50 59 Google Scholar
[9]	Esler M B, Griffith D W, Wilson S R, Steele L P 2000 Anal. Chem. 72 206 Google Scholar
[10]	Hammer S, Griffith D W T, Konrad G, Vardagl S, Caldow C, Levin I 2013 Atmos. Meas. Tech. 6 1153 Google Scholar
[11]	Griffith D W T, Deutscher N M, Caldow C, Kettlewell G, Riggenbach M, Hammer S 2012 Atmos. Meas. Tech. 5 2481 Google Scholar
[12]	Griffiths P R, De Haseth J A 2007 Fourier Transform Infrared Spectrometry (Vol. 171) (New Jersey: John Wiley & Sons, Inc) pp19−21
[13]	Arnold J O, Whiting E E, Lyle G C 1969 J. Quant. Spectrosc. Radiat. Transfer 9 775 Google Scholar
[14]	Heinz D C 2001 IEEE Trans. Geosci. Electron. 39 529 Google Scholar
[15]	冯明春, 徐亮, 刘文清, 刘建国, 高闽光, 魏秀丽 2016 物理学报 65 014210 Google Scholar Feng M C, Xu L, Liu W Q, Liu J G, Gao M G, Wei X L 2016 Acta Phys. Sin. 65 014210 Google Scholar
[16]	焦洋, 徐亮, 高闽光, 金岭, 童晶晶, 李胜, 魏秀丽 2013 物理学报 62 140705 Google Scholar Jiao Y, Xu L, Gao M G, Jin L, Tong J J, Li S, Wei X L 2013 Acta Phys. Sin 62 140705 Google Scholar
[17]	Gordon I E, Rothman L S, Hill C, Kochanov R V, Tan Y, Bernath P F, Birk M, Boudon V, Campargue A, Chance K 2017 J. Quant. Spectrosc. Radiat. Transfer 203 3 Google Scholar
[18]	Hill C, Gordon I E, Kochanov R V, Barrett L, Wilzewski J S, Rothman L S 2016 J. Quant. Spectrosc. Radiat. Transfer 177 4 Google Scholar
[19]	Bernardo C, Griffith D W T 2005 J. Quant. Spectrosc. Radiat. Transfer 95 141 Google Scholar
[20]	Kochanov R V, Gordon I, Rothman L, Wcisło P, Hill C, Wilzewski J 2016 J. Quant. Spectrosc. Radiat. Transfer 177 15 Google Scholar

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不同温度压力对浓度反演精度的定量分析