A high pressure model for the oxidation of toluene

Development of an Experimental Database and Kinetic Models for Surrogate Diesel Fuels

“…Additionally, Zhao et al [96] describe a toluene model and n-heptane/iso-octane/toluene model that reproduce the original high-pressure ignition-delay data [95] as well as shock-tube ignition-delay data from Gauthier et al [97]. Sivaramakrishnan et al [98] developed a mechanism to model their high-pressure toluene shock tube data that showed good agreement with their experimental results of intermediate species concentrations, particularly at stoichiometric conditions. The aforementioned Dagaut model [94] underpredicted the consumption of toluene at the Sivaramakrishnan conditions.…”

“…For example, rapid compression machines and shock tubes have been extensively used to measure the first and second stage heat-release timings and amounts [146,147]. These apparatuses have been routinely operated at 6 MPa pressure [97,98] and capabilities up to 60 MPa have been demonstrated [98]. Experiments at high pressures are particularly crucial as they are most representative of diesel in-cylinder conditions, and highpressure ignition is poorly predicted by many mechanisms.…”

A kinetic modeling study on the oxidation of primary reference fuel–toluene mixtures including cross reactions between aromatics and aliphatics

“…Recently, ignition delay times of toluene were measured using shock tube [8] and Rapid Compression Machine (RCM) [9] at pressures from 10 to 61 atm and temperatures 855 to 1400 K. Sivaramakrishnan et al [10] measured stable products using a High-Pressure single pulse Shock Tube (HPST) combined with a gas chromatography-mass spectrometry at pressures 22 to 550 atm and temperatures 1210 to 1480 K. A detailed chemical kinetic model [11] was also constructed to predict these experiment data. Chaos et al [7] measured stable species for the oxidation of PRF, toluene and their mixtures using Variable Pressure Flow Reactor (VPFR) at 12.5 atm and temperatures from 500 to 1000 K. Their PRF/Toluene model is good agreement with their data.…”

Experimental and modeling study of the oxidation of toluene

“…Toluene is the most important aromatic compound in gasolines (up to 10%), with a research octane number of 120 [1]. Its slow oxidation has been studied experimentally in a flow reactor by Brezinsky et al [12,13], in a jet-stirred reactor by Dagaut et al [14], and in a singlepulse shock tube by Sivaramakrishnan et al [15]. The autoignition of toluene has been studied in a shock tube by Burcat et al [16] and Pengloan et al [14,17] and in a rapid compression machine by Roubaud et al [18].…”