Use of detailed kinetic mechanisms for the prediction of autoignitions

TL;DR

This paper discusses the development of detailed kinetic models for alkane oxidation to improve predictions of autoignition phenomena like cool flames and two-stage ignitions under various conditions.

Contribution

It introduces automatically generated detailed kinetic mechanisms for alkanes, enhancing understanding and prediction of autoignition behaviors at elevated conditions.

Findings

Prediction of cool flames and two-stage ignitions based on pressure, temperature, and mixture composition.

Application to propane, n-heptane, and n-decane.

Models improve understanding of autoignition risks.

Abstract

This paper describes how automatically generated detailed kinetic mechanisms are obtained for the oxidation of alkanes and how these models could lead to a better understanding of autoignition and cool flame risks at elevated conditions. Examples of prediction of the occurrence of different autoignition phenomena, such as cool flames or two-stage ignitions are presented depending on the condition of pressure, temperature and mixture composition. Three compounds are treated, a light alkane, propane, and two heavier ones, n-heptane and n-decane.