[A new multivariate quantitative method of spectral analysis for multicomponent system].

Area of Science:

• Analytical Chemistry
• Spectroscopy
• Chemometrics

Context:

• Traditional multivariate analysis methods for spectral analysis are often costly and lack applicability for calibration models.
• Accurate determination of components in complex mixtures like gasoline is crucial for quality control and environmental monitoring.

Purpose:

• To introduce a novel multivariate analysis method for multicomponent systems, specifically for determining methyl tert-butyl ether (MTBE) content in gasoline using infrared spectroscopy.
• To overcome the limitations of traditional methods by developing a simpler, more accurate, and broadly applicable approach.

Summary:

• A new oblique projection algorithm was developed and applied to infrared spectra of MTBE gasoline solutions.
• A background library was created using spectra from various gasolines and their distillation fractions.
• The algorithm successfully extracted pure spectral signals of MTBE, enabling accurate concentration determination via unary linear regression (R² = 0.9952).

Impact:

• The proposed method eliminates the need for large calibration datasets and complex models, unlike orthogonal projection and PLS methods.
• This approach offers enhanced accuracy, simplicity, and applicability for real-world spectral analysis challenges.
• Facilitates more efficient and cost-effective quality control in the petroleum industry.