Abstract：Laser Raman spectroscopy as an in situ analytical technology can enable detailed investigation of the ocean environment. It is necessary to set up a quantitative analysis method based on laser Raman spectroscopy to understand the marine status in situ. In the laboratory investigations, varied concentration of HCO-3, SO2-4 and coastal waters of Qingdao are taken as the samples, operating 532 nm of laser, using fiber optic probes to simulate detection mode in situ. Raman spectra are analyzed using the method of internal standard normalization, multiple linear regression(MLR), general Partial Least Squares(PLS) and PLS based on dominant factor respectively in data processing. It was found that correlation coefficients of calibration curves are not high in internal standard normalization method and predicted relative errors on the prepared samples are much high, so internal standard normalization method cannot be effectively used in the quantitative analysis of HCO-3, SO2-4 in the water. And with the multiple linear regression, the analysis accuracy was improved effectively. The calibration curve of PLS based on dominant factor showed that the SO2-4 and HCO-3 of pre-made solution with correlation coefficient R2 of 0.990 and 0.916 respectively. The 30 mmol·L-1 of SO2-4 and 20 mmol·L-1 of HCO-3 in two target samples were determined with the relative errors lower than 3.262% and 5.267% respectively. SO2-4 in the coastal waters as the research object was analyzed by above-mentioned methods, comparing with 28.01 mmol·L-1 by ion chromatography. It was demonstrated that PLS based on dominant factor method is superior to the rest of the three analysis methods, which can be used in situ calibration, with the mean relative error about 1.128%. All the results show that analysis accuracy would be improved by the PLS based on dominant factor method to predict concentration of acid radical ions.
陈 靓，李 颖*，杜增丰，谷艳红，郭金家 . 基于激光拉曼光谱技术探测溶液中酸根离子定量分析方法研究 [J]. 光谱学与光谱分析, 2015, 35(09): 2548-2552.
CHEN Jing, LI Ying*, DU Zeng-feng, GU Yan-hong, GUO Jin-jia . Research on the Quantitative Analysis for In-Situ Detection of Acid Radical Ions Using Laser Raman Spectroscopy. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2015, 35(09): 2548-2552.
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