Determination of multi-properties of residual oils using mid-infrared attenuated total reflection spectroscopy

Several physical and chemical parameters (such as saturates, aromatics, resins, and asphaltenes, element contents, density, viscosity, and carbon residue) are necessary to characterize residual oils. The combined use of mid-infrared (MIR) attenuated total reflection (ATR) spectroscopy and multivariate calibration allows those parameters to be estimated accurately. In order to improve the prediction results, samples from different processing units require different calibration models relative to the spectral similarities. This paper builds a strategy to classify and discriminate different types of residual oils by use of partial least square regression. The calibration models for the physical and chemical parameters of three types of residual oils were developed, respectively. The consistencies between the MIR predicted and reference values testify to the creditability of the proposed method.

[1]  and Brian K. Wilt,et al.  Determination of Asphaltenes in Petroleum Crude Oils by Fourier Transform Infrared Spectroscopy , 1998 .

[2]  Wojtek J. Krzanowski,et al.  Ranking principal components to reflect group structure , 1992 .

[3]  Jeffrey J. Kelly,et al.  Nondestructive analytical procedure for simultaneous estimation of the major classes of hydrocarbon constituents of finished gasolines , 1990 .

[4]  Yukio Tominaga,et al.  Comparative study of class data analysis with PCA-LDA, SIMCA, PLS, ANNs, and k-NN , 1999 .

[5]  G. Colson,et al.  FT-IR Spectroscopy for the in-Flame Study of a 15 MW Dual Fuel Gas/Oil Burner , 1999 .

[6]  Randall D. Tobias,et al.  Chemometrics: A Practical Guide , 1998, Technometrics.

[7]  Emil W. Ciurczak,et al.  Handbook of Near-Infrared Analysis , 1992 .

[8]  J. Sjöblom,et al.  Determination of saturate, aromatic, resin, and asphaltenic (SARA) components in crude oils by means of infrared and near-infrared spectroscopy , 2001 .

[9]  E. K. Kemsley,et al.  Discriminant analysis of high-dimensional data: a comparison of principal components analysis and partial least squares data reduction methods , 1996 .

[10]  Hoeil Chung,et al.  Comparison of Near-Infrared, Infrared, and Raman Spectroscopy for the Analysis of Heavy Petroleum Products , 2000 .

[11]  Dor Ben-Amotz,et al.  Identification of insulin variants using Raman spectroscopy. , 2004, Analytical biochemistry.

[12]  S. A. Hutzler,et al.  Estimation of Middle Distillate Fuel Properties by FT-IR , 1997 .

[13]  J. Andrade,et al.  Prediction of clean octane numbers of catalytic reformed naphthas using FT-m.i.r. and PLS , 1997 .

[14]  L. A. Stone,et al.  Computer Aided Design of Experiments , 1969 .