Prediction of 2-EHN content in diesel/biodiesel blends using FTIR and chemometrics

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60461373%3A22320%2F18%3A43913203" target="_blank" >RIV/60461373:22320/18:43913203 - isvavai.cz</a>
Result on the web
<a href="http://dx.doi.org/10.1016/j.talanta.2017.09.003" target="_blank" >http://dx.doi.org/10.1016/j.talanta.2017.09.003</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1016/j.talanta.2017.09.003" target="_blank" >10.1016/j.talanta.2017.09.003</a>

Result language
angličtina
Original language name
Prediction of 2-EHN content in diesel/biodiesel blends using FTIR and chemometrics
Original language description
Quantification models based on the processing of FTIR spectra by partial least squares regression (PLS) were created in order to develop a method for the determination of 2-ethyl hexyl nitrate (2-EHN) in diesel fuels. The set of standards was prepared using 2-EHN, biodiesel (FAME) and various mineral diesel fuels (2-EHN free). The standards were prepared in the concentration range of 2-EHN of 0–2436 mg kg−1. The set of the standards was divided into the calibration, validation and test sets. While the calibration set was used to build the model, validation set was used in order to optimize the model parameters. The test set of the standards was used to assess the predictive ability and repeatability of the model. Several hundreds of various models were developed and compared in order to find a suitable combination of the preprocessing methods and number of latent variables. The most promising model was developed using mean centered spectra in the form of their first derivative and smoothed using Gap-Segment derivative. The model showed quite good predictive ability and repeatability.
Czech name
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Czech description
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Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
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OECD FORD branch
20704 - Energy and fuels

Project
<a href="/en/project/LO1613" target="_blank" >LO1613: Future materials</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)<br>S - Specificky vyzkum na vysokych skolach

Publication year
2018
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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