PLS regression on spectroscopic data for the prediction of crude oil quality: API gravity and aliphatic/aromatic ratio

被引：42
作者：
Abbas, Ouissam [2 ]
Rebufa, Catherine [1 ]
Dupuy, Nathalie [1 ]
Permanyer, Albert [3 ]
Kister, Jacky [1 ]
机构：
[1] Aix Marseille Univ Pole Etoile, Equipe METICA, LISA EA 4672, F-13397 Marseille 20, France
[2] Walloon Agr Res Ctr, Qual Agr Prod Dept, B-5030 Gembloux, Belgium
[3] Univ Barcelona, Dept Geoquim Petr & Prospeccio Geol, E-08028 Barcelona, Spain
来源：
FUEL | 2012年 / 98卷
关键词：
Quality; FTIR-ATR; Synchronous fluorescence; Indices; NEAR-INFRARED SPECTROSCOPY; PETROLEUM OILS; FLUORESCENCE-SPECTRA; CHEMOMETRIC ANALYSIS; REFLECTANCE SPECTRA; MATURITY;
D O I：
10.1016/j.fuel.2012.03.045
中图分类号：
TE [石油、天然气工业]; TK [能源与动力工程];
学科分类号：
0807 ; 0820 ;
摘要：
This work describes a chemometric approach for predicting quality parameters of crude oils by using the information present in spectroscopic data as Fourier Transform Infrared-Attenuated Total Reflectance (FTIR-ATR) absorption and Synchrounous Ultra Violet Fluorescence (SUVF). Using multivariate analysis such as Partial Least-Square (PLS) analysis, the predictive ability of spectroscopic techniques has been explored to estimate the American Petroleum Industry (API) gravity usually determined using standard physical methods and infrared structural/functional indices characterizing the repartition of aliphatic and aromatic structures present in crude oils. Giving global information on chemical compounds present in oil, FTIR-ATR also appears to be a rapid analytical method for quantifying changes in abundances of aliphatic and aromatic structures with the help of the infrared indices calculated from area ratio of specific bands. Then, a PLS model based on MIR data allows to predict this aliphatic/aromatic ratio for various crude oils and avoid time-consuming step of infrared peaks integration. (C) 2012 Elsevier Ltd. All rights reserved.
引用
收藏
页码：5 / 14
页数：10
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