基于拉曼光谱的混合物组分识别方法 
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Identification of Components in Mixtures Based on Raman Spectroscopy
1 江南大学轻工过程先进控制教育部重点实验室, 江苏 无锡 214122
2 北京卓立汉光仪器有限公司, 北京 101102
图 & 表
图 1. 算法流程图
Fig. 1. Flow chart of algorithm
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图 2. 重叠谱峰示意图
Fig. 2. Schematic of overlapping spectrum peaks
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图 3. 6种纯净物和混合物拉曼光谱图。(a)纯净物;(b)混合物
Fig. 3. Raman spectra of six kinds of pure substances and mixtures. (a) Pure substance; (b) mixture
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图 4. 实验过程图。(a)原始光谱图和连续背景;(b)预处理后光谱图
Fig. 4. Experimental process. (a) Original spectrum and continuous background; (b) pretreated spectrum
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图 5. 谱峰拟合及分解图。(a)单峰的拟合图;(b)重叠峰的分解图
Fig. 5. Peak fitting and decomposition plots. (a) Single peak fitting plot; (b) overlapping peak decomposition plot
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图 6. 混合溶液与3种纯净物的光谱图。(a)丙酮;(b)环己烷;(3)乙醇
Fig. 6. Spectrogram of mixed solution and three kinds of pure substances. (a) Acetone; (b) cyclohexane; (c) ethanol
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表 16种混合物的识别结果
Table1. Identification results of six kinds of mixtures
| Pure substance | Mixture |
|---|
| Acetone+cyclohexane+ethanol | Acetone+cycloexane | Ethanol+cycloexane | Acetone | Cyclohexane | Ethanol |
|---|
| Acetone | 0.8192 | 0.8469 | 0.0000 | 0.9638 | 0.0000 | 0.0000 | | Cyclohexane | 0.9897 | 0.9999 | 0.8307 | 0.0000 | 0.9999 | 0.0000 | | Ethanol | 0.8724 | 0.6528 | 0.8725 | 0.0000 | 0.6366 | 0.8604 | | Phosphoric acid | 0.5647 | 0.4946 | 0.0000 | 0.5633 | 0.0000 | 0.0000 | | MethamphetamineHydrochloride | 0.5509 | 0.5123 | 0.4070 | 0.4438 | 0.3791 | 0.2843 | | Oxy-6 monoacetylmor-phinehydrochloride | 0.5817 | 0.5642 | 0.5157 | 0.0000 | 0.5423 | 0.0000 | | Red phosphorus | 0.4879 | 0.4881 | 0.0000 | 0.5330 | 0.0000 | 0.0000 | | Heroin hydrochloride | 0.0000 | 0.0000 | 0.0000 | 0.0000 | 0.0000 | 0.0000 | | Nitrogen mustard | 0.1814 | 0.4641 | 0.3382 | 0.0000 | 0.5448 | 0.0000 | | Diphenyl glycolic acid | 0.3354 | 0.3354 | 0.3352 | 0.0000 | 0.3352 | 0.0000 | | Mustard gas | 0.3905 | 0.0000 | 0.0000 | 0.5347 | 0.0000 | 0.0000 | | Tartaric acid | 0.4774 | 0.5148 | 0.3896 | 0.2824 | 0.2799 | 0.3896 | | Sulfuric acid | 0.4113 | 0.3468 | 0.4438 | 0.3459 | 0.0000 | 0.4438 | | Sarin | 0.5003 | 0.4986 | 0.5322 | 0.0000 | 0.5121 | 0.0000 | | Calcium carbonate | 0.0000 | 0.0000 | 0.5762 | 0.0000 | 0.0000 | 0.5762 | | Nitric acid | 0.3409 | 0.0000 | 0.3023 | 0.0000 | 0.0000 | 0.3410 | | Acetonitrile | 0.5259 | 0.6234 | 0.0000 | 0.3352 | 0.5206 | 0.0000 | | Urea | 0.0000 | 0.0000 | 0.0000 | 0.0000 | 0.0000 | 0.0000 |
|
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刘财政, 朱启兵, 黄敏, 李敏. 基于拉曼光谱的混合物组分识别方法[J]. 激光与光电子学进展, 2019, 56(8): 083004. Caizheng Liu, Qibing Zhu, Min Huang, Min Li. Identification of Components in Mixtures Based on Raman Spectroscopy[J]. Laser & Optoelectronics Progress, 2019, 56(8): 083004.
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