Naslov
Calibration of mass selective detector in non-target analysis of volatile organic compounds in the air

Autori
Arh, Gregor ; Klasinc, Leo ; Veber, Marjan ; Pompe, Matevž

Vrsta, podvrsta i kategorija rada
Sažeci sa skupova, sažetak, znanstveni

Izvornik
Visualization and Modeling in Chemistry, Book of Abstracts / - , 2010

Skup
Visualization and Modeling in Chemistry

Mjesto i datum
Split, Hrvatska, 29.10.2010. - 31.10.2010

Vrsta sudjelovanja
Predavanje

Vrsta recenzije
Međunarodna recenzija

Ključne riječi
Volatile organic compounds; GC-MC; ozone precursors

Sažetak
Volatile organic compounds (VOC) play an important role in the chemistry of the atmosphere and in biogeochemistry. They contribute to the oxidative capacity of the atmosphere, particle and air pollutants, as well as to the production of greenhouse gasses (for instance ozone). Among analytical techniques for their determination in the atmosphere gas chromatography coupled with mass spectrometry (GC-MS) offers several advantages. However, for an accurate quantification calibration with standard substances is necessary. A quantitative structure-property relationship (QSPR) model for the prediction of MS response factors was developed on basis of our experimental measurements for the quantification of ozone precursors present in the atmosphere. A linear correlation between chemical structures and response factors was established by using a partial least-square model. The error in the prediction of response factors was calculated by cross-validation procedure and was below 20%, which is sufficient for the determination of VOCs in the air.

Izvorni jezik
Engleski

Znanstvena područja
Kemija

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