Chemical Kinetic Model of Multicomponent Gasoline Surrogate Fuel with Nitric Oxide in HCCI Combustion

Abstract

This study presents a simplified mechanism of a five-component gasoline surrogate fuel (TDRF–NO) that includes n-heptane, isooctane, toluene, diisobutylene (DIB) and nitric oxide (NO). The mechanism consists of 119 species and 266 reactions and involves TDRF and NO submechanisms. Satisfactory results were obtained in simulating HCCI combustion in engines. The TDRF submechanism is based on the simplified mechanism of toluene reference fuel (TRF) and adds DIB to form quaternary surrogate fuel for gasoline. A simplified NO submechanism containing 33 reactions was added to the simplified mechanism of TDRF, considering the effect of active molecular NO on the combustion of gasoline fuel. The ignition delay data of the shock tube under different pressure and temperature conditions verified the validity of the model. Model verification results showed that the ignition delay time predicted by the simplified mechanism and its submechanics were consistent with the experimental data. The addition of NO caused the ignition delay time of the mechanism simulation to advance with increasing concentration of NO added. The established simplified mechanism effectively predicted the actual combustion and ignition of gasoline.

Construction of a Chemical Kinetic Model of Five-Component Gasoline Surrogates under Lean Conditions

“…Sensitivity analysis (SA) can understand the sensitivity of temperature, pressure, and other parameters to a certain reaction, and it can provide a theoretical basis for the simplification of the mechanism. ROP and SA have been introduced in our previous work [ 56 ]. The simplification methods of the three mechanisms all have their own advantages.…”

“…These functions are included in the simulation software package (Sandia National Laboratories, Albuquerque, NM, USA, 1980). Readers can find relevant introductions in our previous research [ 56 ]. We choose the equal-volume closed homogeneous zero-dimensional model (in software) to simulate ignition delay and the one-dimensional premixed flame model (in software) to simulate laminar flame speed and combustion substance concentration.…”

25th Anniversary of Molecules—Recent Advances in Green Chemistry

“…Aspects related with the determination of pollutants as persistent organic pollutants or polycyclic aromatic hydrocarbons in different samples are also covered [ 9 , 10 ]. Finally, this collection provides information on the stability to enzymatic degradation of the tricyclic acyclovir derivative and its esters (acetyl, isobutyryl, pivaloyl, nicotinic, ethoxycarbonyl) compared with the stability of analogue acyclovir esters [ 11 ], as well as a mechanistic study on homogenous charge compression ignition engines [ 12 ]. The twelve manuscripts published in the current Special Issue cover almost all aspects of Green Chemistry.…”