研究目的
Investigating the deformulation of a commercial surfactant mixture using RAMAN spectroscopy and advanced chemometric tools for quality control and regulation.
研究成果
The study successfully identified and quantified pure surfactants in complex mixtures using BSS methods and RAMAN spectroscopy, proving the methodology's effectiveness for industrial quality control.
研究不足
The limit of detection for low concentrations (< 1%) of raw materials and the challenge in identifying LO due to shared bands with SLES and its low concentration.
1：Experimental Design and Method Selection:
The study employed RAMAN spectroscopy combined with chemometric tools (Independent Component Analysis and Partial Least Square) for signal extraction and analysis.
2：Sample Selection and Data Sources:
Dilute solutions of a commercial detergent were prepared for compound identification, and 40 samples were obtained according to a Design of Experiment (DoE) for quantification.
3：List of Experimental Equipment and Materials:
A Raman Rxn1 spectrometer equipped with a fiber optic sapphire immersion probe was used. Chemicals included surfactants provided by STEPAN and Sigma-Aldrich.
4：Experimental Procedures and Operational Workflow:
Samples were prepared by solubilizing compounds by stirring for 15 min before analyses. Each mixture was analyzed in triplicate.
5：Data Analysis Methods:
Data preprocessing included normalization and multiplicative signal correction (MSC). Statistical analyses were performed with ICA-ML, ICA-JADE, FastICA, and PLSR.
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