Eventos Anais de eventos
COBEM 2021
26th International Congress of Mechanical Engineering
Use of Virtual Kinetics Chemistry for Ignition Delay Times Prediction for High Temperature and NTC behaviors
Submission Author:
Augusto Finger Pacheco , SC , Brazil
Co-Authors:
Augusto Finger Pacheco, Amir Antonio Martins Oliveira
Presenter: Augusto Finger Pacheco
doi://10.26678/ABCM.COBEM2021.COB2021-2088
Abstract
The simulation of complex reactive flows, usually associated with the applications of combustion, generally requires a large amount of computational power, and the reactive part of the solution is usually the most time consuming. Detailed chemical kinetics mechanisms can reach up to tens of thousands species, while numerical simulations of complex reactive flows can handle mechanisms, at most, with a few hundred species. Virtual kinetic mechanisms are a very effective strategy to drastically reduce the computational time spent in the reactive part of numerical simulations. They are formed by artificial species and reaction paths, built from scratch, which are optimized to reproduce the important characteristics of a canonical problem of interest. This work presents the development of virtual mechanisms to reproduce ignition delay times and temperature profiles for high temperature as well as discussions over the low temperature and NTC behaviors. Methane and n-heptane were used as base models for the discussions however, the methodology can be extended to any other fuel. There are still limitations on using virtual chemistry, but the results present overall deviations much smaller than those obtained from reduction methods, such as DRG, when mechanism of the same size are used.
Keywords
virtual chemistry, Auto Ignition, NTC, Kinetics mechanisms
