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Construction of a Small-Sized Simplified Chemical Kinetics Model for the Simulation of n-Propylcyclohexane Combustion Properties

Author

Listed:
  • Hossein S. Saraee

    (Energy 2050, Department of Mechanical Engineering, The University of Sheffield, Sheffield S3 7RD, UK)

  • Kevin J. Hughes

    (Energy 2050, Department of Mechanical Engineering, The University of Sheffield, Sheffield S3 7RD, UK)

  • Mohamed Pourkashanian

    (Energy 2050, Department of Mechanical Engineering, The University of Sheffield, Sheffield S3 7RD, UK)

Abstract

The development of a compact mechanism has made a great contribution to work on the combustion of hydrocarbon species and facilitates the investigations on chemical kinetics and computational fluid dynamics (CFD) studies. N-propylcyclohexane (NPCH) is one of the important components for jet, diesel, and gasoline fuels which needs a reliable compact reaction kinetics mechanism. This study aims to investigate the construction of a well-validated mechanism for NPCH with a simplified chemical kinetics model that delivers a good prediction ability for the key combustion parameters in a wide range of conditions (temperatures, pressures, and equivalence rates). The NPCH reaction kinetic mechanism was constructed with the aid of a coupling process, simplification process, rate modification, and a combination of standard reduction methods. The model includes a simplified sub-mechanism with 16 species and 58 reactions and a semi-detailed core mechanism with 56 species and 390 reactions. Two key parameters including ignition delay time and laminar flame speed are simulated by the use of ANSYS Chemkin-Pro. The simulation results for these parameters are validated against the available data in the literature, and the results show a good agreement compared to the experimental data over a wide range of conditions covering low to high temperatures at different pressures and equivalence ratios.

Suggested Citation

  • Hossein S. Saraee & Kevin J. Hughes & Mohamed Pourkashanian, 2024. "Construction of a Small-Sized Simplified Chemical Kinetics Model for the Simulation of n-Propylcyclohexane Combustion Properties," Energies, MDPI, vol. 17(5), pages 1-10, February.
  • Handle: RePEc:gam:jeners:v:17:y:2024:i:5:p:1103-:d:1345719
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