Raman spectroscopy combined with advanced chemometric methods: A new approach for detergent deformulation

摘要： Deformulation of a commercial surfactant mixture using RAMAN spectroscopy and advanced chemometric tools have been investigated. Since the use of surfactants is drastically expanding, their fine identification and quantification are required for quality control and regulation. Dilution of the detergent mixtures combined with RAMAN spectroscopy for signal extraction tools allowed the extraction of the first information concerning the composition of the mixture. The raw materials identified were thus used in an experimental design to obtain a robust model for the determination of detergent composition. The combination of chemometric tools (Independent Component Analysis and Partial Least Square) and spectroscopic methods provided pertinent information for detergent composition. This methodology can easily be transposed to the industrial world.