Optimization of an automated FI-FT-IR procedure for the determination of o-xylene, toluene and ethyl benzene in n-hexane

Author： Wells I. Worsfold P. J.

Publisher： Taylor & Francis Ltd

ISSN： 1464-5068

Source： Journal of Automated Methods & Management in Chemistry, Vol.21, Iss.4, 1999-07, pp. : 113-119

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Abstract

The development and optimization of an automated flow injection (FI) manifold coupled with a Fourier transform infrared (FTIR) detector for the determination of toluene, ethyl benzene and oxylene in an n-hexane matrix is described. FT-IR parameters optimized were resolution and number of co-added scans; FI parameters optimized were type of pump tubing, carrier flow rate and sample volume. ATR and transmission flow cells were compared for the determination of o-xylene, the ATR cell was easier to use and gave better figures of merit, except for sensitivity, for which the transmission cell was twice as good. M ultivariate calibration routines were applied to the FI-FT-IR data and the PLS1 algorithm gave relative root mean standard errors of crossvalidation (RRM SECVs) < 7% for all three analytes using mean-centred data and the first derivative for o-xylene.