Comprehensive Experimental and Simulation Study of the Ignition Delay Time Characteristics of Binary Blended Methane, Ethane, and Ethylene over a Wide Range of Temperature, Pressure, Equivalence Ratio, and Dilution

Abstract

A comprehensive experimental and kinetic modelling study of the ignition delay time (IDT) characteristics of some binary-blends of C1-C2 gaseous hydrocarbons such as methane/ethylene, methane/ethane, and ethane/ethylene were performed over a wide range of composition (90%/10%, 70%/30%, 50%/50%), temperature (~800-2000 K), pressure (~1-40 bar), equivalence ratio (~0.5-2.0), and dilution (~75-90%).An extensive literature review was conducted, and available data were extracted to create a comprehensive database for our simulations. Based on existing literature data, an experimental matrix was designed using the Taguchi approach (L9) in order to identify and complete the experimental matrix required to generate a comprehensive experimental IDT set necessary for the validation of a chemical kinetic model. The required high-and low-temperature IDTs were collected using low/high-pressure shock tubes and rapid compression machines, respectively. The predictions of NUIGMech1.0 are examined versus all of the available experimental data, including those taken in the current study using the IDT simulations and a correlation technique. Moreover, the individual effect of the studied parameters, including mixture composition, pressure, equivalence ratio, and dilution on IDT is investigated over the studied temperature range. Correlations that were developed based on NUIGMech1.0 are presented for each specific blended fuel over the conditions studied. These correlations show an acceptable performance versus the experimental data.

Development of Multipurpose Skeletal Core Combustion Chemical Kinetic Mechanisms

“…The detailed NUIGMech1.1 mechanism includes 771 species and 3783 reactions to predict the pyrolysis and oxidation of various C 0 –C 4 fuels. ,,,− A combination of skeletal mechanism reduction methods is used to generate minimal skeletal mechanisms for core fuel molecules, including methane, methanol, ethane, ethylene, acetylene, ethanol, propene, propane, allene, propyne, the isomers of butene and butane, 1,3-butadiene, and benzene. These mechanisms are merged to form multipurpose skeletal core kinetic models.…”

Theoretical Study of the Reaction of Hydrogen Atoms with Three Pentene Isomers: 2-Methyl-1-butene, 2-Methyl-2-butene, and 3-Methyl-1-butene

“…All simulations were performed using Chemkin-Pro assuming a constant volume homogeneous batch reactor. The model was developed by implementing our computed thermochemistry and rate constants into NUIGMech1.0 ,− which contains our quantum chemical calculations based on this work. This model was then used to simulate recent results from a pyrolysis study of the pentene isomers using the NUIG single pulse shock-tube (dotted lines).…”

“…Nagaraja et al performed a single pulse shock-tube study, where five pentene isomers were pyrolyzed in a single pulse shock-tube using gas chromatography–mass spectrometry (GC–MS) analyses to identify product species for C 5 H 10 -1, C 5 H 10 -2, 2M1B, 2M2B, and 3M1B, which were then quantified using flame ionization detection (FID) to demonstrate the effect of fuel molecular structure on pyrolysis. The simulations performed were conducted using NUIGMech1.0, ,− including preliminary quantum chemical results from the present study which are discussed in detail herein.…”

A Review on Detailed Kinetic Modeling and Computational Fluid Dynamics of Thermochemical Processes of Solid Fuels

“…As reviewed by Simmie and Battin-Leclerc, extensive combustion studies were conducted for unraveling the mechanism of pyrolysis and oxidation of various hydrocarbons (alkane, alkene, alkynes, dienes, ethers, esters, cycloalkanes, and aromatics) in shock tubes, jet-stirred reactors, and flow reactors. Consequently, various DCKMs were developed and released in public. − The accumulation of knowledge and advances in computational capacity have increased the number of reactions. Most recent models involve thousands of species, including intermediates and tens of thousands of reactions .…”