Quantitative determination of n-heptane and n-octane using terahertz time-domain spectroscopy with chemometrics methods
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- 作者：Honglei Zhan ; Fangli Qin ; Wujun Jin ; Li’na Ge ; Honglan Liu…
- 关键词：terahertz time ; domain spectroscopy (THz ; TDS) ; n ; heptane ; n ; octane ; partial least squares (PLS) ; back propagation ; artificial neural network (BP ; ANN)
- 刊名：Frontiers of Optoelectronics in China
- 出版年：2015
- 出版时间：March 2015
- 年：2015
- 卷：8
- 期：1
- 页码：57-61
- 全文大小：675 KB
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Wujun Jin (1)
Li’na Ge (1)
Honglan Liu (1)
Kun Zhao (1) (2)
1. Key Laboratory of Oil and Gas Terahertz Spectroscopy and Photoelectric Detection, CPCIF, Beijing, 100723, China
2. Laboratory of Optic Sensing and Detecting Technology, China University of Petroleum, Beijing, 102249, China - 刊物类别：Engineering
- 刊物主题：Electronic and Computer Engineering
Electromagnetism, Optics and Lasers
Biomedical Engineering
Chinese Library of Science - 出版者：Higher Education Press, co-published with Springer-Verlag GmbH
- ISSN：2095-2767
文摘
This paper introduces the terahertz time-domain spectroscopy (THz-TDS) used for the quantitative detection of n-heptane volume ratios in 41 n-heptane and n-octane mixtures with the concentration range of 0-00% at the intervals of 2.5%. Among 41 samples, 33 were used for calibration and the remaining 8 for validation. Models of chemometrics methods, including partial least squares (PLS) and back propagation-artificial neural network (BP-ANN), were built between the THz-TDS and the n-heptane percentage. To evaluate the quality of the built models, we calculated the correlation coefficient (R) and root-mean-square errors (RMSE) of calibration and validation models. R and RMSE of two methods were close to 1 and 0 within acceptable levels, respectively, demonstrating that the combination of THz-TDS and chemometrics methods is a potential and promising tool for further quantitative detection of nalkanes.