A detailed chemical kinetic modeling and experimental investigation of the low- and high-temperature chemistry of n-butylcyclohexane
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- Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
- National Univ. of Ireland Galway (Ireland); North Univ. of China, Taiyuan (China)
- National Univ. of Ireland Galway (Ireland)
- Combustion Chemistry Centre School of Chemistry Ryan Institute MaREI National University of Ireland Galway Galway Ireland
Abstract Chemical kinetic models of gasoline, jet, and diesel fuels and their mixtures with bioderived fuels are needed to assess fuel property effects on efficiency, emissions, and other performance metrics in internal combustion and gas turbine engines. As these real fuels have too many fuel components to be included in a chemical kinetic model, surrogate fuels containing fewer components are used to represent them. These surrogate fuels mimic the chemical classes or molecular structures contained in the real fuel. One of the important chemical classes in gasoline, jet, and diesel fuels comprises cyclohexanes. Cyclohexanes comprise about 30% or more by weight in diesel fuel. Also, Mueller et al (Energy Fuels. 2012;26(6):3284‐3303) proposed n‐butylcyclohexane (nBCH) as a component in a nine‐component surrogate palette to represent the ignition properties, distillation curve, density, and molecular structures of a diesel certification fuel. In this work, experimental measurements of the ignition delay times (IDTs) of nBCH in a shock tube and in a rapid compression machine are reported over a wide range of temperature, pressure, and equivalence ratio important for enabling the validation of a chemical kinetic model for nBCH for combustion in diesel engines. The range of conditions are temperatures of 630–1420 K, pressures of 10, 30, and 50 bar, and equivalence ratios of 0.3, 0.5, 1.0, and 2.0 in ‘air’. A detailed chemical model is developed for nBCH to simulate its ignition at both low and high‐temperature conditions and at relevant elevated pressures. The experimentally measured IDTs are used to improve and validate the chemical kinetic model.
- Research Organization:
- Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)
- Sponsoring Organization:
- USDOE National Nuclear Security Administration (NNSA); USDOE Office of Energy Efficiency and Renewable Energy (EERE), Transportation Office. Vehicle Technologies Office; Saudi Aramco; Irish Research Council; Science Foundation Ireland (SFI); The Shanxi Science and Technology Department
- Grant/Contract Number:
- AC52-07NA27344; 15/IA/3177; 16/SP/3829; 201803D421101
- OSTI ID:
- 1763191
- Alternate ID(s):
- OSTI ID: 1804778
- Report Number(s):
- LLNL-JRNL-812116; 1019301
- Journal Information:
- International Journal of Chemical Kinetics, Vol. 53, Issue 3; ISSN 0538-8066
- Publisher:
- WileyCopyright Statement
- Country of Publication:
- United States
- Language:
- English
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