Acta Optica Sinica, Volume. 45, Issue 6, 0630001(2025)

Rapid Qualitative and Quantitative Analysis Method of Multi-Component Polycyclic Aromatic Hydrocarbons in Groundwater Using CNN and 3DEEM

Ming Gao1...2,3, Ruifang Yang2,3,*, Nanjing Zhao1,2,3,**, Gaofang Yin2,3, Liang Wang2,3,4, Yuxi Jiang2,3,5, Hengxin Song2,3,4, and Xiaowei Chen23 |Show fewer author(s)
Author Affiliations
  • 1Institutes of Physical Science and Information Technology, Anhui University, Hefei 230601, Anhui , China
  • 2Key Laboratory of Environmental Optics and Technology, Chinese Academy of Sciences, Anhui Institute of Optics and Fine Mechanics, Hefei Institutes of Physics Science, Chinese Academy of Sciences, Hefei 230031, Anhui , China
  • 3Key Laboratory of Optical Monitoring Technology for Environment of Anhui Province, Hefei 230031, Anhui , China
  • 4School of Biology, Food and Environment, Hefei University, Hefei 230601, Anhui , China
  • 5University of Science and Technology of China, Hefei 230026, Anhui , China
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    Figures & Tables(16)
    CNN qualitative and quantitative analysis method
    Fluorescence fingerprint characteristics and linear correlation regions. (a) Anthracene; (b) phenanthrene; (c) pyrene; (d) naphthalene; (e) chrysene; (f) fluoranthrene; (g) benzo [a] pyrene; (h) benzo [b] fluoranthrene
    Relationship between mass concentration of benzo [a]pyrene solution and fluorescence intensity
    Three representative samples of incorrect predictions. (a) No. 267 sample; (b) No. 291 sample; (c) No. 301 sample
    Comparison of predicted mass concentration by proposed method and actual mass concentration. (a) Actual mass concentration; (b) predicted mass concentration
    Error in predicting mass concentration of PAHs. (a) Relative error; (b) absolute error
    Fluorescence background of actual underground water. (a) RS1; (b) RS2
    Error of RS1 quantitative analysis. (a) Actual mass concentration; (b) predicted mass concentration; (c) relative error; (d) absolute error
    Results of RS2 qualitative analysis
    Error of RS2 quantitative analysis. (a) Actual mass concentration; (b) predicted mass concentration; (c) relative error; (d) absolute error
    • Table 1. Summary of 3DEEM spectral data

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      Table 1. Summary of 3DEEM spectral data

      Componentof PAHsPAHs-STDSPAHs-EDSPAHs-RealS
      RS1RS2
      Total3301100070
      01682011
      114437961616
      212024521414
      ≥350393208
    • Table 2. Evaluation results of qualitative model

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      Table 2. Evaluation results of qualitative model

      MetricsAccuracy /%True numberTotal number
      Sample98.2324330
      Component99.826342640
    • Table 3. Actual component of predicted error samples by qualitative model

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      Table 3. Actual component of predicted error samples by qualitative model

      SamplenumberAnthracenePhenanthrenePyreneNaphthaleneChryseneFluoranthreneBenzo [a] pyreneBenzo [b] fluoranthrene
      26711
      26811
      29111
      30111
      30511
      30611
    • Table 4. Predicted error sample data of qualitative model

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      Table 4. Predicted error sample data of qualitative model

      Sample

      number

      AnthracenePhenanthrenePyreneNaphthaleneChryseneFluoranthreneBenzo [a] pyreneBenzo [b] fluoranthrene
      267111
      268111
      2911
      3011
      3051
      3061
    • Table 5. Evaluation results of quantitative model

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      Table 5. Evaluation results of quantitative model

      StandardTrue numberComponent numberAComponent
      M12585330×80.979
      M22440330×80.924
      M32183330×80.827
    • Table 6. Mass concentration range of samples in the test set

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      Table 6. Mass concentration range of samples in the test set

      SampleAnthracenePhenanthrenePyreneNaphthaleneChryseneFluoranthreneBenzo [a] pyreneBenzo [b] fluoranthrene
      PAHs-STDS1.0‒10.08.0‒112.11.0‒12.28.0‒120.720.0‒373.420.0‒324.620.0‒400.016.0‒400.0
      RS10.6‒1.17.9‒15.80.9‒1.810.5‒21.033.2‒66.415.4‒30.838.4‒76.813.1‒26.1
      RS21.5‒4.441.9‒125.74.0‒12.058.4‒175.399.7‒299.032.5‒97.4158.4‒475.142.5‒127.5
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    Ming Gao, Ruifang Yang, Nanjing Zhao, Gaofang Yin, Liang Wang, Yuxi Jiang, Hengxin Song, Xiaowei Chen. Rapid Qualitative and Quantitative Analysis Method of Multi-Component Polycyclic Aromatic Hydrocarbons in Groundwater Using CNN and 3DEEM[J]. Acta Optica Sinica, 2025, 45(6): 0630001

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    Paper Information

    Category: Spectroscopy

    Received: Jul. 11, 2024

    Accepted: Oct. 14, 2024

    Published Online: Mar. 26, 2025

    The Author Email: Yang Ruifang (rfyang@aiofm.ac.cn), Zhao Nanjing (njzhao@aiofm.ac.cn)

    DOI:10.3788/AOS241279

    CSTR:32393.14.AOS241279

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