Determination of some physicochemical properties in Brazilian crude oil by 1H NMR spectroscopy associated to chemometric approach

FUEL

卷:181

Article

Duarte, Lucas M.¹  Filgueiras, Paulo R.²  Silva, Samantha R. C.²  Dias, Julio C. M.³  Oliveira, Lize M. S. L.³  Castro, Eustaquio V. R.²  de Oliveira, Marcone A. L.¹ 

[1] Univ Fed Juiz de Fora, Inst Exact Sci, Dept Chem, Analyt Chem & Chemometr Grp GQAQ, BR-36036330 Juiz De Fora, MG, Brazil

[2] Univ Fed Espirito Santo, Ctr Competence Petr Chem NCQP, Lab Res & Dev Methodol Anal Oils LabPetro, Dept Chem, Av Fernando Ferrari 514, BR-29075910 Vitoria, ES, Brazil

[3] CENPES PETROBRAS, BR-21941598 Rio De Janeiro, RJ, Brazil

关键词: Crude oil;    Physicochemical properties;    PCA;    PLS;    H-1 NMR;   

DOI  :  10.1016/j.fuel.2016.05.049

来源: Elsevier

【 摘 要 】

An alternative method for establishing crude oil properties, using H-1 nuclear magnetic resonance (H-1 NMR) associated with partial least squares regression is proposed. It can be used for determination of API gravity, carbon residue (CR), wax appearance temperature (WAT) and basic organic nitrogen (BON). At a 95% confidence level, the main results obtained for API gravity, CR, WAT and BON models provide determination coefficients for prediction (R-p(2)) and root mean square error for prediction (RMSEP) equal to 0.945, 0.802, 0.857 and 0.789; and 0.8, 0.598% w/w, 3.8 degrees C, 0.009% w/w, respectively. The residuals of each fitted model were evaluated taking into account systematic and random errors and all results were considered acceptable. The determination of these physicochemical properties in Brazilian crude oil was successfully achieved using a chemometric approach in association with H-1 NMR. (C) 2016 Elsevier Ltd. All rights reserved.

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