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Use of temperature dependent Raman spectra to improve accuracy for analysis of complex oil-based samples: Lube base oils and adulterated olive oils
Authors:Mooeung Kim  Sanguk Lee  Kyeol Chang  Hoeil Chung  Young Mee Jung
Affiliation:1. Department of Chemistry and Research Institute for Natural Sciences, Hanyang University, Seoul 133-791, Republic of Korea;2. Department of Chemistry, Kangwon National University, Choonchun 200-701, Republic of Korea
Abstract:A simple and effective strategy to improve accuracy for Raman spectroscopic analysis of complex mixture samples by probing a measurement temperature yielding enhanced spectral selectivity has been demonstrated. For the evaluation, the determination of Kinematic Viscosity at 40 °C (KV@40) of lube base oil (LBO) samples was initially attempted. Partial least squares (PLS) was used to determine the KV@40 using Raman spectra of the samples collected at 8 different temperatures from 20 to 90 °C with 10 °C increments. Interestingly, the distinct temperature-induced spectral variation among the samples occurred at 50 °C, thereby resulting in the improved accuracy for determination of KV@40. Two-dimensional (2D) correlation analysis was also performed to find an additional supportive rationale for the improved accuracy. The strategy was further evaluated for the identification of soybean oil-adulterated olive oils using linear discriminant analysis (LDA). Similarly, the discrimination accuracy was improved around 80–90 °C due to the enhanced spectral selectivity between olive and soybean oils. In overall, these two results successfully demonstrate analytical effectiveness of the strategy.
Keywords:Raman spectral selectivity   Temperature-sensitive molecular vibration   Generalized two-dimensional correlation analysis   Lube base oil   Viscosity   Adulterated olive oil
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