研究目的
To propose and test a spectral fusion approach in dual-wavelength Raman spectroscopy to enable quantitative analysis for process monitoring by simultaneously illuminating the sample with two lasers, overcoming the limitations of consecutive recording.
研究成果
The spectral fusion method based on simultaneous dual-wavelength excitation allows recording fused spectra containing full spectroscopic information in a reduced spectral window, suitable for quantitative analysis using univariate and multivariate methods. It enables the development of compact devices for process monitoring, with future work needed on multi-component mixtures to further evaluate benefits and limitations.
研究不足
Potential limitations include enhanced sample degradation due to irradiation with two wavelengths, systematic errors from different penetration depths or unstable laser powers, and difficulty in peak assignment for structural analysis due to overlapping spectral regions.
1：Experimental Design and Method Selection:
The study proposes spectral fusion by simultaneously irradiating the sample with two lasers (680 nm and 785 nm) to fuse Raman spectra in a reduced spectral window, enabling quantitative analysis. Theoretical models include univariate and multivariate chemometric methods (e.g., PCA, PLSR).
2：Sample Selection and Data Sources:
Aqueous solutions of dimethyl sulfoxide (DMSO) were used, including pure water, pure DMSO, and 9 binary mixtures in steps of 0.1 molar fraction, prepared gravimetrically in a glove box and filled into sealed vials.
3：1 molar fraction, prepared gravimetrically in a glove box and filled into sealed vials.
List of Experimental Equipment and Materials:
3. List of Experimental Equipment and Materials: Dual-wavelength laser (IPS Innovative Photonics Solutions, USA), fiber probe (IPS Innovative Photonics Solutions, USA), spectrograph (Andor Shamrock, 163 nm focal length, 1200 grooves/mm grating), CCD camera (Andor iDUS), sealed vials, DMSO, water.
4：Experimental Procedures and Operational Workflow:
The laser delivered ~300 mW continuous wave radiation at 680 and 785 nm simultaneously. The laser was coupled to a fiber probe, and the signal was connected to the spectrograph and CCD camera. Acquisition time was set to 500 ms with 10 accumulations per sample.
5：Data Analysis Methods:
Univariate analysis by plotting Raman intensity against concentration for each pixel, fitting linear functions to derive slope and R2. Multivariate analysis using principal component analysis (PCA) and partial least-squares regression (PLSR) to assess quantitative capabilities.
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