Prediction of hydroperoxide number of diesel fuel using FTIR and chemometrics

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60461373%3A22320%2F25%3A43931508" target="_blank" >RIV/60461373:22320/25:43931508 - isvavai.cz</a>

Result on the web

<a href="https://www.sciencedirect.com/science/article/pii/S1386142525005645?via%3Dihub" target="_blank" >https://www.sciencedirect.com/science/article/pii/S1386142525005645?via%3Dihub</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1016/j.saa.2025.126258" target="_blank" >10.1016/j.saa.2025.126258</a>

Result language

angličtina

Original language name

Prediction of hydroperoxide number of diesel fuel using FTIR and chemometrics

Original language description

A prediction model based on the processing of FTIR spectra and partial least squares regression (PLS) was developed for the determination of the hydroperoxide number of diesel fuels. The sets of calibration and validation standards were composed of fresh and aged diesel fuels. The hydroperoxide number determined via the standard titration method ranged from 0 to 65 mg·kg−1. While the calibration standards were utilized for the model construction, the validation standards were used for its optimization and validation. Several preprocessing methods, together with various numbers of latent variables, were utilized to improve model prediction ability. The model with the lowest Root Mean Square Error of Prediction was developed using mean centering, variance scaling, second derivative, and smoothing methods. Both examined smoothing techniques, i.e., Savitzky-Golay and Gap-Segment derivative, provided similar results. The use of the commonly available and affordable FTIR method, allowing rapid analysis, proved to be cost effective alternative to highly erroneous and laborious titration methods utilizing toxic reagents. In general, the developed model showed good predictive ability and is a perfect solution for fast screening of oxidative aging level of conventional hydrocarbon-based fuels.

Czech name

—

Czech description

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Type

J_imp - Article in a specialist periodical, which is included in the Web of Science database

CEP classification

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OECD FORD branch

21100 - Other engineering and technologies

Project

—

Continuities

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Publication year

2025

Confidentiality

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

Name of the periodical

SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

ISSN

1386-1425

e-ISSN

1873-3557

Volume of the periodical

339

Issue of the periodical within the volume

October

Country of publishing house

NL - THE KINGDOM OF THE NETHERLANDS

Number of pages

6

Pages from-to

126258

UT code for WoS article

001476117400001

EID of the result in the Scopus database

2-s2.0-105002845831