相关实验视频

Updated: May 20, 2025

Original Experimental Approach for Assessing Transport Fuel Stability

Original Experimental Approach for Assessing Transport Fuel Stability

Published on: October 21, 2016

使用FTIR和化学测量来预测柴油油氧化含量

Dan Vrtiška¹, Miloš Auersvald¹, Zlata Mužíková¹

¹University of Chemistry and Technology, Prague, Department of Sustainable Fuels and Green Chemistry, Technicka 5, 160 00 Prague 6, Czech Republic.

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy

|April 19, 2025

概括

一个新的预测模型使用FTIR光谱学和PLS回归来准确确定柴油中的氧化物数量,为评估燃料老化提供了传统定位方法的快速和经济有效的替代方案.

科学领域:

分析化学分析化学
频谱学是一种光谱学.
燃料科学燃料科学燃料科学

背景情况:

氧化物数是柴油燃料氧化降解的关键指标.
传统的定位方法来确定氧化的数量是繁的,耗时的,并使用有毒的试剂.
开发快速,准确和具有成本效益的评估燃料质量的方法至关重要.

研究的目的:

开发一个预测模型来确定柴油燃料的氧化物数量.
为了利用富里埃变换红外光谱法 (FTIR) 与部分最小平方 (PLS) 回归相结合.
建立一个具有成本效益和快速选方法,用于柴油燃料的氧化老化.

主要方法:

使用FTIR光谱和PLS回归的预测模型的开发.
校准和验证使用新鲜和老化柴油燃料标准 (0-65 mg·kg−1 氧化数).
优化涉及各种预处理技术 (平均集中,差异缩放,第二导数,光滑) 和潜在变量.

主要成果:

优化的模型采用了特定的预处理方法,显示出出色的预测能力.
萨维茨基-戈莱和Gap-Segment衍生品平滑技术都产生了可比,有效的结果.
基于FTIR的模型实现了较低的根平均平方误差预测,表明高准确度.

结论:

开发的FTIR-PLS模型提供了一种可靠和快速的方法来确定柴油燃料的氧化物数.
这种方法是传统定位方法的成本效益和环保更友好的替代方案.
该模型适用于快速选碳化合物燃料中的氧化衰老水平.

关键词:

在FTIR光谱学中使用.氧化水 (Hydroperoxide) 是一种氧化水.氧化的数量是多少多变量校准的多变量校准部分最小平方回归.

更多相关视频

Fluorescent Paper Strips for the Detection of Diesel Adulteration with Smartphone Read-out

Fluorescent Paper Strips for the Detection of Diesel Adulteration with Smartphone Read-out

Published on: November 9, 2018

Nitrogen Compound Characterization in Fuels by Multidimensional Gas Chromatography

Nitrogen Compound Characterization in Fuels by Multidimensional Gas Chromatography

Published on: May 15, 2020

相关概念视频

UV–Vis Spectroscopy: Woodward–Fieser Rules

UV–Vis Spectroscopy: Woodward–Fieser Rules

UV–Visible absorption spectra of conjugated dienes arise from the lowest energy π → π* transitions. The light-absorbing part of the molecule is called the chromophore, and the substituents directly attached to the chromophore are called auxochromes. A strong correlation exists between the absorption maxima, λmax, and the structure of a conjugated π system. The Woodward–Fieser rules predict the value of λmax for a given...

IR and UV–Vis Spectroscopy of Aldehydes and Ketones

IR and UV–Vis Spectroscopy of Aldehydes and Ketones

Infrared spectroscopy, also known as vibrational spectroscopy, is mainly used to determine the types of bonds and functional groups in molecules. In aldehydes and ketones, the carbonyl (C=O) bond shows an absorption around 1710 cm-1. The C=O bond vibration of an aldehyde occurs at lower frequencies than that of a ketone. In addition to the C=O absorption in an aldehyde, the aldehydic C–H bond also gives two peaks in the 2700–2800 cm-1 range. This absorption, coupled with the...

Classification of Titrimetric Analysis Based on Reaction Types

Classification of Titrimetric Analysis Based on Reaction Types

Titrimetric analysis in solution chemistry involves measuring the volume of solutions and is often called volumetric analysis. The standard solution of known concentration in the burette is called the titrant, whereas the solution of unknown concentration in the flask is called the analyte, or titrand. Titrimetric analyses can be classified into four types based on the reactions between the titrant and analyte.
Titrations between an acid and a base lead to neutralization reactions that form...

Oxidation of Alkenes: Syn Dihydroxylation with Osmium Tetraoxide

Oxidation of Alkenes: Syn Dihydroxylation with Osmium Tetraoxide

Alkenes are converted to 1,2-diols or glycols through a process called dihydroxylation. It involves the addition of two hydroxyl groups across the double bond with two different stereochemical approaches, namely anti and syn. Dihydroxylation using osmium tetroxide progresses with syn stereochemistry.

IR and UV–Vis Spectroscopy of Carboxylic Acids

IR and UV–Vis Spectroscopy of Carboxylic Acids

In IR spectroscopy of carboxylic acids, the C=O bond shows a characteristic band between 1710 and 1760 cm⁻¹, and the O–H bond exhibits a broad band between 2500 and 3300 cm⁻¹.
However, the stretching absorptions for the C=O bond vary depending on the structure of carboxylic acids. The C=O bond of the free carboxylic acids shows a higher stretching frequency, 1760 cm−1, while H-bonded carboxylic acids (dimers) exhibit stretching absorptions at a lower frequency,...

¹³C NMR: Distortionless Enhancement by Polarization Transfer (DEPT)

¹³C NMR: Distortionless Enhancement by Polarization Transfer (DEPT)

When proton-coupled carbon-13 spectra are simplified by a broadband proton decoupling technique, structural information about the coupled protons is lost. Distortionless enhancement by polarization transfer (DEPT) is a technique that provides information on the number of hydrogens attached to each carbon in a molecule. While the DEPT experiment utilizes complex pulse sequences, the pulse delay and flip angle are specifically manipulated. The resulting signals have different phases depending on...