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

Kód výsledku v 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>

Výsledek na webu

<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>

Jazyk výsledku

angličtina

Název v původním jazyce

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

Popis výsledku v původním jazyce

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.

Název v anglickém jazyce

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

Popis výsledku anglicky

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.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

20704 - Energy and fuels

Projekt

<a href="/cs/project/LO1613" target="_blank" >LO1613: Výzkum nových materiálů pro chemický průmysl</a><br>

Návaznosti

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)<br>S - Specificky vyzkum na vysokych skolach

Rok uplatnění

2018

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Talanta

ISSN

0039-9140

e-ISSN

—

Svazek periodika

178

Číslo periodika v rámci svazku

1 February

Stát vydavatele periodika

NL - Nizozemsko

Počet stran výsledku

5

Strana od-do

987-991

Kód UT WoS článku

000370530600027

EID výsledku v databázi Scopus

2-s2.0-85028952210