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Understanding the low-temperature oxidation kinetics of ethers – KINOXET

Understanding the low-temperature oxidation kinetics of ethers

The aim of the project KINOXET is to elucidate the oxidation pathways of ethers, with emphasis at low temperatures where the kinetics of oxidation is more complicated.

Objectives

A potential biofuel must be characterized as completely as possible, in order to be used. It is therefore essential to know its fundamental combustion properties, particularly the products formed during its oxidation. The KINOXET project aims to understand the low-temperature oxidation behavior of ether-type biofuels. Our recent research has shown unconventional oxidation behavior with some ethers, for which there is no clear kinetic explanation so far. It is therefore necessary to go beyond our current knowledge of the classical pattern of low temperature kinetics exhibited by many fuels. To this end, we will construct a tubular flow reactor in order to obtain detailed information on the intermediate species as a function of residence time and temperature for selected ethers, focusing on the low temperature region. In addition, detailed kinetic models will be developed to represent the experimental data and provide an explanation for the observed behaviors.

To achieve this objective, the stable species formed during oxidation will be measured and kinetic mechanisms will be developed to interpret these experimental observations elucidating the fuel decomposition pathways as well as the formation pathways of the identified species. A plug-flow reactor will be built in order to have additional detailed data as a function of residence time and temperature.

The first results obtained in the jet-stirred reactor (JSR) shows two zones of low-temperature reactivity, a rare phenomenon, which we had previously observed with dibutyl ether. This interesting phenomenon has never been observed during the oxidation of molecules belonging to other chemical families, and requires detailed modeling.

This project aims to elucidate this behavior from both experimental and kinetic modeling points of view and to contribute to the establishment of structure/reactivity relationships concerning ethers.

The project KINOXET aims at understanding the low-temperature oxidation behavior of ether type biofuels. Our recent research has shown an unconventional oxidation behavior with certain ethers, for which there is no clear kinetic explanation yet. This shows that we need investigate beyond our comfort zone of the classical scheme of low temperature kinetics, exhibited by many fuels. For this purpose we will build a tubular flow reactor, in order to obtain detailed intermediate species information as a function of residence time and temperature on selected non-cyclic and cyclic ethers with focus on low temperature. Moreover, detailed kinetic models will be developed representing these data. This project will allow the scientific coordinator to be able to hold an independent research activity within her laboratory, and consolidating the research efforts of her team.

Project coordination

Zeynep Serinyel (Institut de combustion, aérothermique,réactivité et environnement)

The author of this summary is the project coordinator, who is responsible for the content of this summary. The ANR declines any responsibility as for its contents.

Partner

ICARE Institut de combustion, aérothermique,réactivité et environnement

Help of the ANR 275,799 euros
Beginning and duration of the scientific project: December 2020 - 48 Months

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