Jm. Andrade et al., PREDICTION OF FCC GASOLINE OCTANE NUMBERS USING FT-MIR AND PLS, Fresenius' journal of analytical chemistry, 355(5-6), 1996, pp. 723-725
A method for predicting ''octane numbers'' (RON and MON) in fluid cata
lytic cracking (FCC) gasolines is proposed. Using FT-MIR and PLS, impr
ovements have been obtained in sample throughput, reduced delay times,
accuracy (repeatability and reproducibility), amounts of samples and
reagents and environmental working conditions when compared with curre
nt standard methods. A total number of 140 daily production samples we
re taken; and from there, a learning group was prepared (44 samples);
a validation set (96 samples) was prepared, as well. Sample spectra we
re recorded from 4000 to 600 cm(-1) at 4 cm(-1) intervals (traditional
sealed NaCl cells). The PLS technique was used in its two variants (1
and 2-block). Both provided similar results. Their predictive charact
eristics are very good: SEP(RON) = 0.38; SEP(MON) = 0.40; repeatabilit
y < 0.1 O.N.; reproducibility < 0.3 O.N. (SEP = Standard Error of Pred
iction).