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Comparison of Near-IR, Raman, and Mid-IR Spectroscopies for the Determination of BTEX in Petroleum Fuels

Volume 51, Number 11 (Nov. 1997) Page 1613-1620

Cooper, John B.; Wise, Kent L.; Welch, William T.; Sumner, Michael B.; Wilt, Brian K.; Bledsoe, Roger R.

We report for the first time a direct comparison of the three most common vibrational analysis techniques for the determination of individual BTEX components (benzene, toluene, ethylbenzene, ortho -xylene, meta -xylene, and para -xylene) in blended commercial gasolines. Partial least-squares (PLS) regression models were constructed for each BTEX component by using each of the three spectroscopic techniques. A minimum of 120 types of blended gasolines were used in the training set for each BTEX component. Leave-oneout validation of the training sets yields lower standard errors for Raman and mid-IR spectroscopies when compared to near-IR for all six BTEX components. In general, mid-IR has slightly lower standard errors than Raman. These trends are upheld when the models are tested by using independent test sets with a minimum of 40 types of blended gasolines (all of which differ in composition from the training set).