Novel methodologies for automatically and simultaneously determining BTEX components using FTIR spectra

作者：Wang Liang^*; Liu Erming; Cheng Ying; Bekele Dawit N; Lamb Dane; Chen Zuliang; Megharaj Mallavarapu; Naidu Ravendra

来源：Talanta, 2015, 144: 1104-1110.

DOI：10.1016/j.talanta.2015.07.044

• Benzene
• Toluene
• Ethylbenzene and xylenes (BTEX)
• Fourier Transform Infrared Spectrometer (FTIR)
• Baseline Correction
• Curve fitting
• Back-propagation Neural Network (BPNN)

This study introduced a patented novel methodological system for automatically analysis of Fourier Transform Infrared Spectrometer (FTIR) spectrum data located at 'fingerprint' region (wavenumber 670-800 cm(-1)), to simultaneously determinate multiple petroleum hydrocarbons (PHs) in real mixture samples. This system includes: an object oriented baseline correction; Band decomposition (curve fitting) method with mathematical optimization; and Artificial Neural Network (ANN) for determination, which is suitable for the characteristics of this IR regions, where the spectra are normally with low signal to noise ratio and high density of peaks. BTEX components are potentially lethal carcinogens and contained in many petroleum products. As a case study, six BTEX components were determinate automatically and simultaneously in mixture vapor samples. The robustness of the BTEX determination was validated using real petroleum samples, and the prediction results were compared with gas chromatography-mass spectrometry (GC-MS).

• 出版日期2015-11-1