Prediction of source rock origin by chemometric analysis of fourier transform infrared-attenuated total reflectance spectra of oil petroleum: Evaluation of aliphatic and aromatic fractions by self-modeling mixture analysis

Applied Spectroscopy

Volumn 60, Issue 3, 2006, Pages 304-314

  Abbas, Ouissam ^a   Dupuy, Nathalie ^b   Rebufa, Catherine ^a   Vrielynck, Laurence ^b   Kister, Jacky ^a   Permanyer, Albert ^c  

^a AIX MARSEILLE UNIVERSITY   (France)

^b Dpt HSE   (France)

^c UNIVERSITY OF BARCELONA   (Spain)

Author keywords

ATR; Attenuated total reflectance; Chemometrics; Fourier transform infrared spectroscopy; FT IR; Oils; Partial least squares; PCA; PLS; Principal component analysis; Simple to use interactive self modeling mixture analysis; SIMPLISMA; Spectroscopy

Indexed keywords

COMPUTER SIMULATION; CRUDE PETROLEUM; LEAST SQUARES APPROXIMATIONS; LIGHT REFLECTION; MIXTURES; PRINCIPAL COMPONENT ANALYSIS;

ATR; ATTENUATED TOTAL REFLECTANCE; CHEMOMETRICS; PARTIAL LEAST SQUARES; SIMPLE-TO-USE INTERACTIVE SELF-MODELING MIXTURE ANALYSIS;

FOURIER TRANSFORM INFRARED SPECTROSCOPY;

FUEL OIL; HYDROCARBON;

ARTICLE; CHEMICAL MODEL; CHEMISTRY; CLASSIFICATION; DRUG MIXTURE; GEOLOGY; INFRARED SPECTROSCOPY; METHODOLOGY; PRINCIPAL COMPONENT ANALYSIS;

COMPLEX MIXTURES; FUEL OILS; GEOLOGY; HYDROCARBONS; MODELS, CHEMICAL; PRINCIPAL COMPONENT ANALYSIS; SPECTROSCOPY, FOURIER TRANSFORM INFRARED;

EID: 33646191248     PISSN: 00037028     EISSN: None     Source Type: Journal    
DOI: 10.1366/000370206776342508     Document Type: Article

References (26)

1. I. Horstad, S. R. Larter, H. Dypvik, P. Aagaard, A. M. Bjornvik, P. E. Johansen, and S. Eriksen, Org. Geochem. 16(1-3), 497 (1990).
2. D. Leythaeuser and J. Rückheim, Geochim. Cosmochim. Acta 53, 2119 (1989).
3. L. W. Slentz, "Geochemistry of reservoir fluids as unique approach to optimum reservoir management: SPE 9582", in Middle East Oil Technical Conference of the SPE (Manama, Baharain, 1989).
4. R. L. Kaufman, A. S. Ahmed, and W. B. Hempkins, "A new technique for the analysis of commingled oils and its application to production allocation calculations", in Proceedings of the Sixteenth Annual Convention of the Indonesian Petroleum Association (Indonesian Petroleum Association, Jakarta, 1987), pp. 247-268.
5. R. L. Kaufman, A. S. Ahmed, and R. J. Elsinger, "Gas Chromatography as a Development and Production Tool for Fingerprinting Oils from Individual Reservoirs: Applications in the Gulf of Mexico", GCS-SEPM GCS-SEPM Foundation 9th Annual Research Conference Proceedings (Austin, TX, 1990), pp. 263-282.
6. R. J. Hwang, A. S. Ahmed, and J. M. Moldowan, Org. Geochem. 21, 171 (1994).
7. A. Permanyer, J. Kister, L. Douifi, and J. Lamontagne, "FT-IR Spectroscopy, Synchronous UV Fluorescence and GC/MS; a comparative study applied to Mediterranean oils", in 20th International Meeting on Organic Geochemistry (Nancy, France 10-14 September (2001).
8. A. Permanyer, L. Douifi, M. Alberdi, C. Rébufa, and J. Kister, "Reservoir compartmentalization and oil maturity determined by FT-IR", 8th Latin American Congress on Organic Geochemistry (Cartagena, Colombie, 19-24 October, 2002).
9. A. Permanyer, D. A. Azevedo, C. Rébufa, J. Kister, and F. T. T. Gonçalves, "Application of spectroscopic techniques to geochemical characterization and correlation of Brazilian Oils", 9th Latin American Congress on Organic Geochemistry (Merida, Yucatan, Mexico, 5-9 December, 2004).
10. P. Doumenq, "Apport de l'infrarouge à transformée de Fourier et du couplage Chromatographie gazeuse / infrarouge à transformée de Fourier à l'étude de systèmes chimiques complexes", Ph.D. Thesis, University Aix-Marseille III, France (1989).
11. N. Pieri, "Etude du vieillissement simulé et in situ des bitumes routiers par IRTF et Fluorescence UV en excitation-émission synchrones", Ph.D. Thesis, University Aix-Marseille III, France (1994).
12. H. Martens and T. Naes, Multivariate Calibration (John Wiley and Sons, New York, 1989).
13. H. Martens, Anal. Chim. Acta 112, 423 (1979).
14. M. Fuller and P. R. Griffiths, Anal. Chem. 50, 1906 (1988).
15. D. M. Haaland and E. V. Thomas, Anal. Chem. 60, 1193 (1988).
16. S. Roussel, V. Bellon-Maurel, J. M. Roger, and P. Grenier, J. Food Eng. 60, 407 (2003).
17. Y. L. Liang and O. M. Kvalheim, Chem. Int. Lab. Syst. 32, 1 (1996).
18. W. Windig, Chemom. Intell. Lab. Syst. 4, 201 (1988).
19. W. Windig and D. A. Stephenson, Anal. Chem. 64, 2735 (1992).
20. P. J. Gemperline, J. Chemom. 3, 549 (1989).
21. J. C. Hamilton and P. J. Gemperline, J. Chemom. 4, 1 (1990).
22. L. A. Currie, Chemom. Intell. Lab. Syst. 10, 59 (1991).
23. V. Vacqué, N. Dupuy, B. Sombret, J. P. Huvenne, and P. Legrand, Appl. Spectrosc. 51, 407 (1997).
24. N. Dupuy and Y. Batonneau, Anal. Chim. Acta 495, 205 (2003).
25. W. Windig and S. Markel, J. Mol. Struct. 292, 161 (1993).
26. R. Tauler and A. De Juan, Multivariate Curve resolution home page, http:// www.ub.es/gesq/mcr/mcr.htm.