Title: A Novel Dual Fuel Reaction Mechanism for Ignition in Natural Gas–Diesel Combustion
Authors: Schuh, Sebastian 
Frühhaber, Jens 
Lauer, Thomas 
Winter, Franz 
Category: Original Research Article
Issue Date: 19-Nov-2019
Schuh, S., Frühhaber, J., Lauer, T., & Winter, F. (2019). A Novel Dual Fuel Reaction Mechanism for Ignition in Natural Gas–Diesel Combustion. Energies, 12(22), 1–32. https://doi.org/10.3390/en12224396
Journal: Energies 
ISSN: 1996-1073
In this study, a reaction mechanism is presented that is optimized for the simulation of the dual fuel combustion process using n-heptane and a mixture of methane/propane as surrogate fuels for diesel and natural gas, respectively. By comparing the measured and calculated ignition delay times (IDTs) of different homogeneous methane–propane–n-heptane mixtures, six different n-heptane mechanisms were investigated and evaluated. The selected mechanism was used for computational fluid dynamics (CFD) simulations to calculate the ignition of a diesel spray injected into air and a natural gas–air mixture. The observed deviations between the simulation results and the measurements performed with a rapid compression expansion machine (RCEM) and a combustion vessel motivated the adaptation of the mechanism by adjusting the Arrhenius parameters of individual reactions. For the identification of the reactions suitable for the mechanism adaption, sensitivity and flow analyzes were performed. The adjusted mechanism is able to describe ignition phenomena in the context of natural gas–diesel, i.e., dual fuel combustion.
Keywords: computational fluid dynamics simulation; dual fuel combustion; flow analysis; ignition delay time; methane–propane–n-heptane mixtures; rapid compression machine; reaction kinetics; sensitivity analysis; shock tube
DOI: 10.3390/en12224396
Organisation: E166-03 - Forschungsbereich Chemische Verfahrenstechnik und Energietechnik 
License: CC BY 4.0 CC BY 4.0
Publication Type: Article
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