An experimental and chemical kinetic modeling study of dimethylcyclohexane oxidation and pyrolysis

M.A. Eldeeb, S. Jouzdani, Z. Wang, S.M. Sarathy, B. Akih-Kumgeh
Energy & Fuels, (2016)

An experimental and chemical kinetic modeling study of dimethylcyclohexane oxidation and pyrolysis

Keywords

Dimethylcyclohexane oxidation, Pyrolysis, High-temperature ignition

Abstract

​A combined experimental and chemical kinetic modeling study of the high-temperature ignition and pyrolysis of 1,3-dimethylcyclohexane (13DMCH) is presented. Ignition delay times are measured behind reflected shock waves over a temperature range of 1049–1544 K and pressures of 3.0–12 atm. Pyrolysis is investigated at average pressures of 4.0 atm at temperatures of 1238, 1302, and 1406 K. By means of mid-infrared direct laser absorption at 3.39 μm, fuel concentration time histories are measured under ignition and pyrolytic conditions. A detailed chemical kinetic model for 13DMCH combustion is developed. Ignition measurements show that the ignition delay times of 13DMCH are longer than those of its isomer, ethylcyclohexane. The proposed chemical kinetic model predicts reasonably well the effects of equivalence ratio and pressure, with overall good agreement between predicted and measured ignition delay times, except at low dilution levels and high pressures. Simulated fuel concentration profiles agree reasonably well with the measured profiles, and both highlight the influence of pyrolysis on the overall ignition kinetics at high temperatures. Sensitivity and reaction pathway analyses provide further insight into the kinetic processes controlling ignition and pyrolysis. The work contributes toward improved understanding and modeling of the oxidation and pyrolysis kinetics of cycloalkanes.

Code

DOI: 10.1021/acs.energyfuels.6b00879

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