Prediction of gasoline octane numbers from near-infrared spectral features in the range 660-1215 nm
The feasibility of predicting the quality parameters of gasoline from its absorption spectrum in the wavelength range 660-1215 nm was investigated. In this spectral region, vibrational overtones and combination bands of CH groups of methyl, methylene, aromatic, and olefinic functions were observed. With the aid of multivariate statistics, the spectral features could be correlated to various quality parameters of gasoline such as octane number. As an example, multivariate analysis of the spectra of 43 unleaded gasoline samples yielded a three-wavelength prediction equation for pump octane that gave excellent correlations (R/sup 2/ = 0.95; standard error of estimate, 0.3-0.4 octane number; standard error of prediction, 0.4-0.5 octane number) with the ASTM motor determined octane numbers. Independent multivariate analysis using partial least-squares (PLS) regression yielded similar results. An additional set of nine samples from the Pacific Coast Exchange Group of the ASTM were examined for ten different quality parameters (research and motor octane numbers, Reid vapor pressure, API gravity, bromine number, lead, sulfur, aromatic, olefinic, and saturate contents). Regression analysis of the spectra results in correlation of nine of the ten properties with R/sup 2/ values ranging from 0.94 to 0.99 and standard errors near the independent reference test values.
- Research Organization:
- Univ. of Washington, Seattle (USA)
- OSTI ID:
- 6271943
- Journal Information:
- Anal. Chem.; (United States), Vol. 61:4
- Country of Publication:
- United States
- Language:
- English
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Related Subjects
37 INORGANIC
ORGANIC
PHYSICAL AND ANALYTICAL CHEMISTRY
ALKANES
ABSORPTION SPECTROSCOPY
ALKENES
ANTIKNOCK RATINGS
PREDICTION EQUATIONS
AROMATICS
GASOLINE
LEAD
SULFUR
API GRAVITY
BROMINE NUMBER
EXPERIMENTAL DATA
INFRARED SPECTRA
MULTIVARIATE ANALYSIS
QUANTITATIVE CHEMICAL ANALYSIS
REGRESSION ANALYSIS
VAPOR PRESSURE
CHEMICAL ANALYSIS
DATA
DENSITY
ELEMENTS
EQUATIONS
FUELS
HYDROCARBONS
INFORMATION
LIQUID FUELS
MATHEMATICS
METALS
NONMETALS
NUMERICAL DATA
ORGANIC COMPOUNDS
PETROLEUM PRODUCTS
PHYSICAL PROPERTIES
SPECTRA
SPECTROSCOPY
STATISTICS
THERMODYNAMIC PROPERTIES
023000* - Petroleum- Properties & Composition
400102 - Chemical & Spectral Procedures