Denghao Zhu , Sumit Agarwal , Bo Shu , Ravi Fernandes , Zhechao Qu
{"title":"1915 cm−1附近NO跃迁的光谱研究:高温线参数和不确定度量化","authors":"Denghao Zhu , Sumit Agarwal , Bo Shu , Ravi Fernandes , Zhechao Qu","doi":"10.1016/j.saa.2025.126990","DOIUrl":null,"url":null,"abstract":"<div><div>This study presents a comprehensive spectroscopic investigation of two nitric oxide (NO) absorption transitions (R11.5 Ω1/2 at 1914.99 cm<sup>−1</sup> and R11.5 Ω3/2 at 1915.76 cm<sup>−1</sup>) using laser absorption spectroscopy. By employing two complementary experimental systems, namely a continuous flow gas cell for line intensity measurements and a shock tube facility for temperature dependence coefficient characterization, we attained exceptional measurement accuracy with line intensity uncertainties as low as 0.95 % while extending the accessible temperature range to 1742 K. The study systematically characterizes temperature dependence of pressure broadening coefficients in four buffer gases (Ar, N<sub>2</sub>, He, CO<sub>2</sub>), revealing distinct gas-specific behaviors, particularly the weak interaction between NO and helium. A rigorous metrological analysis demonstrated substantial improvements in NO quantification accuracy, achieving 12.4-fold and 3.5-fold uncertainty reductions for scanned-wavelength and fixed-wavelength LAS, respectively. The development of uncertainty mapping and dynamic uncertainty evaluation methodologies further enhanced measurement reliability under transient conditions. The comprehensive dataset and methodological innovations presented in this work address critical gaps in high temperature NO spectroscopy and enable more accurate molecular diagnostics in energy, environmental, and industrial applications.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"347 ","pages":"Article 126990"},"PeriodicalIF":4.6000,"publicationDate":"2025-09-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Spectroscopic investigation of NO transitions near 1915 cm−1: high-temperature line parameters and uncertainty quantification\",\"authors\":\"Denghao Zhu , Sumit Agarwal , Bo Shu , Ravi Fernandes , Zhechao Qu\",\"doi\":\"10.1016/j.saa.2025.126990\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><div>This study presents a comprehensive spectroscopic investigation of two nitric oxide (NO) absorption transitions (R11.5 Ω1/2 at 1914.99 cm<sup>−1</sup> and R11.5 Ω3/2 at 1915.76 cm<sup>−1</sup>) using laser absorption spectroscopy. By employing two complementary experimental systems, namely a continuous flow gas cell for line intensity measurements and a shock tube facility for temperature dependence coefficient characterization, we attained exceptional measurement accuracy with line intensity uncertainties as low as 0.95 % while extending the accessible temperature range to 1742 K. The study systematically characterizes temperature dependence of pressure broadening coefficients in four buffer gases (Ar, N<sub>2</sub>, He, CO<sub>2</sub>), revealing distinct gas-specific behaviors, particularly the weak interaction between NO and helium. A rigorous metrological analysis demonstrated substantial improvements in NO quantification accuracy, achieving 12.4-fold and 3.5-fold uncertainty reductions for scanned-wavelength and fixed-wavelength LAS, respectively. The development of uncertainty mapping and dynamic uncertainty evaluation methodologies further enhanced measurement reliability under transient conditions. The comprehensive dataset and methodological innovations presented in this work address critical gaps in high temperature NO spectroscopy and enable more accurate molecular diagnostics in energy, environmental, and industrial applications.</div></div>\",\"PeriodicalId\":433,\"journal\":{\"name\":\"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy\",\"volume\":\"347 \",\"pages\":\"Article 126990\"},\"PeriodicalIF\":4.6000,\"publicationDate\":\"2025-09-25\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S1386142525012971\",\"RegionNum\":2,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q1\",\"JCRName\":\"SPECTROSCOPY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","FirstCategoryId":"92","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S1386142525012971","RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"SPECTROSCOPY","Score":null,"Total":0}
Spectroscopic investigation of NO transitions near 1915 cm−1: high-temperature line parameters and uncertainty quantification
This study presents a comprehensive spectroscopic investigation of two nitric oxide (NO) absorption transitions (R11.5 Ω1/2 at 1914.99 cm−1 and R11.5 Ω3/2 at 1915.76 cm−1) using laser absorption spectroscopy. By employing two complementary experimental systems, namely a continuous flow gas cell for line intensity measurements and a shock tube facility for temperature dependence coefficient characterization, we attained exceptional measurement accuracy with line intensity uncertainties as low as 0.95 % while extending the accessible temperature range to 1742 K. The study systematically characterizes temperature dependence of pressure broadening coefficients in four buffer gases (Ar, N2, He, CO2), revealing distinct gas-specific behaviors, particularly the weak interaction between NO and helium. A rigorous metrological analysis demonstrated substantial improvements in NO quantification accuracy, achieving 12.4-fold and 3.5-fold uncertainty reductions for scanned-wavelength and fixed-wavelength LAS, respectively. The development of uncertainty mapping and dynamic uncertainty evaluation methodologies further enhanced measurement reliability under transient conditions. The comprehensive dataset and methodological innovations presented in this work address critical gaps in high temperature NO spectroscopy and enable more accurate molecular diagnostics in energy, environmental, and industrial applications.
期刊介绍:
Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy (SAA) is an interdisciplinary journal which spans from basic to applied aspects of optical spectroscopy in chemistry, medicine, biology, and materials science.
The journal publishes original scientific papers that feature high-quality spectroscopic data and analysis. From the broad range of optical spectroscopies, the emphasis is on electronic, vibrational or rotational spectra of molecules, rather than on spectroscopy based on magnetic moments.
Criteria for publication in SAA are novelty, uniqueness, and outstanding quality. Routine applications of spectroscopic techniques and computational methods are not appropriate.
Topics of particular interest of Spectrochimica Acta Part A include, but are not limited to:
Spectroscopy and dynamics of bioanalytical, biomedical, environmental, and atmospheric sciences,
Novel experimental techniques or instrumentation for molecular spectroscopy,
Novel theoretical and computational methods,
Novel applications in photochemistry and photobiology,
Novel interpretational approaches as well as advances in data analysis based on electronic or vibrational spectroscopy.