• Chinese Journal of Lasers
  • Vol. 47, Issue 11, 1111001 (2020)
Ji Mingqiang1, Zhu Qibing1、*, Huang Min1, Zhang Liwen2, Lei Zemin2, and Zhang Heng2
Author Affiliations
  • 1Key Laboratory of Advanced Process Control for Light Industry, Ministry of Education, Jiangnan University, Wuxi, Jiangsu 214122, China
  • 2Beijing Zolix Instrument Co., Ltd., Beijing 101102, China
  • show less
    DOI: 10.3788/CJL202047.1111001 Cite this Article Set citation alerts
    Ji Mingqiang, Zhu Qibing, Huang Min, Zhang Liwen, Lei Zemin, Zhang Heng. Method for Improving Identification Accuracy of Components in Mixtures Using Raman Spectra of Known Mixtures[J]. Chinese Journal of Lasers, 2020, 47(11): 1111001 Copy Citation Text show less
    Original spectra of six pure substances measured by hand-held Raman spectrometer
    Fig. 1. Original spectra of six pure substances measured by hand-held Raman spectrometer
    Raman spectra of six pure substances after preprocessing
    Fig. 2. Raman spectra of six pure substances after preprocessing
    Diagrams of overlapping peak region division and decomposition. (a) Region division; (b) decomposition
    Fig. 3. Diagrams of overlapping peak region division and decomposition. (a) Region division; (b) decomposition
    Flowchart of algorithm
    Fig. 4. Flowchart of algorithm
    Schematic of spectral peak shift
    Fig. 5. Schematic of spectral peak shift
    Mixture typeComponentVolume ratio
    Ternary(45)① ethanol,acetonitrile,acetone② acetone,cyclohexane,diacetone alcohol③ cyclohexane,diacetone alcohol,diethyl malonate④ ethanol,diacetone alcohol,diethyl malonate⑤ ethanol,acetonitrile,diethyl malonate7∶2∶1,5∶3∶2,4∶3∶3,2∶1∶7,3∶2∶5,3∶3∶4,1∶7∶2,2∶5∶3,3∶4∶3
    Quaternary(36)① acetonitrile,acetone,cyclohexane,ethanol② acetone,cyclohexane,diacetone alcohol,diethyl malonate③ ethanol,acetonitrile,diacetone alcohol,diethyl malonate6∶2∶1∶1,5∶2∶2∶1,4∶3∶2∶1,2∶1∶1∶6,2∶2∶1∶5,3∶2∶1∶4,1∶1∶6∶2,2∶1∶5∶2,2∶1∶4∶3,1∶6∶2∶1,1∶5∶2∶2,1∶4∶3∶2
    Table 1. Known mixtures with different components
    Mixture typeComponentVolume ratio
    Ternary(45)① acetone,diacetone alcohol,diethyl malonate② ethanol,acetone,diacetone alcohol③ ethanol,acetone,cyclohexane④ ethanol,cyclohexane,diethyl malonate⑤ acetonitrile,acetone,diacetone alcohol7∶2∶1,5∶3∶2,4∶3∶3,2∶1∶7,3∶2∶5,3∶3∶4,1∶7∶2,2∶5∶3,3∶4∶3
    Quaternary(36)① ethanol,acetone,diacetone alcohol,diethyl malonate② ethanol,acetonitrile,acetone,diethyl malonate③ ethanol,acetonitrile,acetone,diacetone alcohol6∶2∶1∶1,5∶2∶2∶1,4∶3∶2∶1,2∶1∶1∶6,2∶2∶1∶5,3∶2∶1∶4,1∶1:6∶2,2∶1∶5∶2,2∶1∶4∶3,1∶6∶2∶1,1∶5∶2∶2,1∶4∶3∶2
    Table 2. Mixtures to be identified with different components
    MixtureIdentification accuracyTotal number of components
    SMPDMPMDM
    Ternary91.85%(124)86.67%(117)96.30%(130)135
    Quaternary68.75%(99)66.67%(96)89.58%(129)144
    Total79.93%(223)76.34%(213)92.83%(259)279
    Table 3. Identification accuracy of each method
    ComponentIdentification accuracyTotal number of components
    SMPDMPMDM
    Ethanol55.56%(35)74.60%(47)93.65%(59)63
    Acetonitrile100%(33)100%(33)100%(33)33
    Acetone80.56%(58)85.92%(61)90.28%(65)72
    Cyclohexane100%(18)100%(18)100%(18)18
    Diacetone alcohol90.20%(46)58.82%(30)93.73%(48)51
    Diethyl malonate78.57%(33)57.14%(24)85.95%(36)42
    Table 4. Identification accuracy of individual component
    Number of groupsGroup 1Group 2Group 3Group 4Group 5Group 6Group 7Group 8
    284.9586.7488.8988.8989.2589.6190.3290.68
    486.7490.6893.6293.6293.6294.3494.7094.70
    689.6193.2795.0695.4296.4996.5897.2197.92
    Table 5. Identification accuracy under different sizes of known databases %
    Ji Mingqiang, Zhu Qibing, Huang Min, Zhang Liwen, Lei Zemin, Zhang Heng. Method for Improving Identification Accuracy of Components in Mixtures Using Raman Spectra of Known Mixtures[J]. Chinese Journal of Lasers, 2020, 47(11): 1111001
    Download Citation