A Reduced Chemical Kinetic Mechanism for Toluene Reference Fuels Based On DRGEP and QSSA Methods

Peng Yin ,Chunhua Zhang ,Ao Zhou ,Songfeng Li ,Yangyang Li

doi:10.17559/tv-20190913062824

Abstract

A Reduced Chemical Kinetic Mechanism for Toluene Reference Fuels Based On DRGEP and QSSA Methods

Highlights

We can make full use of chemical kinetic mechanism to simulate the combustion process
For the construction of the reduced mechanism, the directed relation graph with error propagation (DRGEP) method is used to wipe out insignificant components efficiently, followed by the use of the quasi-steady state assumption (QSSA) method to separate quasi-steady-state (QSS) species from the kinetic ODEs
Pitz et al [3] proposed that gasoline surrogate fuel should contain three essential components: n-heptane, iso-octane and toluene, for the reason that toluene is usually the richest aromatic compound in gasoline based on the importance of developing an accurate chemical kinetic mechanism for numerical simulations [4]

Summary

Introduction

We can make full use of chemical kinetic mechanism to simulate the combustion process. Simulations using detailed or semi-detailed mechanisms have been limited to the relatively simple fuels due to the computational complexity and long computational time. One of the conventional fuels for internal combustion engines, is a complex mixture that contains nalkane, iso-alkane, naphthene, olefins, aromatics and oxygenates. Pitz et al [3] proposed that gasoline surrogate fuel should contain three essential components: n-heptane, iso-octane and toluene, for the reason that toluene is usually the richest aromatic compound in gasoline based on the importance of developing an accurate chemical kinetic mechanism for numerical simulations [4]. The chemical kinetic model of three components, namely, iso-octane, n-heptane and toluene, can be considered the chemical mechanism of the gasoline and applied to simulate the combustion of gasoline. Common validation experiments for the chemical kinetic mechanism include flow reactor (FR), rapid press machine (RCM), jetstirred reactor (JSR), shock tube (ST), laminar flame (LF), Tehnički vjesnik 27, 5(2020), 1571-1578 and homogenous charge compression ignition (HCCI) engine

Objectives

Methods

Findings

Conclusion