Applicability of high-absorbance MIR spectroscopy in industrial quality control of reformed gasolines

✍ Scribed by José M Andrade; Marı́a S Sánchez; Luis A Sarabia

• Publisher: Elsevier Science
• Year: 1999
• Tongue: English
• Weight: 291 KB
• Volume: 46
• Category: Article
• ISSN: 0169-7439
• DOI: 10.1016/s0169-7439(98)00156-7

✦ Synopsis

Partial least squares PLS , polynomial partial least squares polynomial-PLS , locally weighted regression LWR and Ž . Ž . genetic inside neural network GINN algorithms were used to develop models for predicting motor octane number MON Ž . from non-leaded and catalytically reformed gasolines. Medium infrared mid-infrared spectra were obtained on liquid samples and chemometrically processed in order to get acceptable predictive models which allow their use for routine industrial quality monitoring. As MIR spectra currently present peaks with high absorbances, the presence and influence of nonlinearities was sought comparing the broadly-used PLS method with several other algorithms specially designed to cope with such Ž . influences polynomial-PLS, local regression and neural networks . Their prediction abilities; i.e., stability and global prediction error when predicting new samples as well as their usefulness for routine industrial control were studied.