Prediction of gasoline octane numbers from near-infrared spectral features in the range 660-1215 nm

Journal Article · Wed Feb 15 04:00:00 EST 1989 · Anal. Chem.; (United States)

DOI:https://doi.org/10.1021/ac00179a007· OSTI ID:6271943

Kelly, J J; Barlow, C H; Jinguji, T M; Callis, J B

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), Journal Name: Anal. Chem.; (United States) Vol. 61:4; ISSN ANCHA
• Country of Publication: United States
• Language: English

Related Subjects

02 PETROLEUM
023000* -- Petroleum-- Properties & Composition
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
400102 -- Chemical & Spectral Procedures
ABSORPTION SPECTROSCOPY
ALKANES
ALKENES
ANTIKNOCK RATINGS
API GRAVITY
AROMATICS
BROMINE NUMBER
CHEMICAL ANALYSIS
DATA
DENSITY
ELEMENTS
EQUATIONS
EXPERIMENTAL DATA
FUELS
GASOLINE
HYDROCARBONS
INFORMATION
INFRARED SPECTRA
LEAD
LIQUID FUELS
MATHEMATICS
METALS
MULTIVARIATE ANALYSIS
NONMETALS
NUMERICAL DATA
ORGANIC COMPOUNDS
PETROLEUM PRODUCTS
PHYSICAL PROPERTIES
PREDICTION EQUATIONS
QUANTITATIVE CHEMICAL ANALYSIS
REGRESSION ANALYSIS
SPECTRA
SPECTROSCOPY
STATISTICS
SULFUR
THERMODYNAMIC PROPERTIES
VAPOR PRESSURE