AUTHOR=Chang Yachao , Jia Ming , Li Yaopeng , Xie Maozhao 

TITLE=Application of the Optimized Decoupling Methodology for the Construction of a Skeletal Primary Reference Fuel Mechanism Focusing on Engine-Relevant Conditions

JOURNAL=Frontiers in Mechanical Engineering

VOLUME=1

YEAR=2015

URL=https://www.frontiersin.org/journals/mechanical-engineering/articles/10.3389/fmech.2015.00011

DOI=10.3389/fmech.2015.00011

ISSN=2297-3079

ABSTRACT=<p>For the multi-dimensional simulation of the engines with advanced compression-ignition combustion strategies, a practical and robust chemical kinetic mechanism is highly demanded. Decoupling methodology is effective for the construction of skeletal mechanisms for long-chain alkanes. To improve the performance of the decoupling methodology, further improvements are introduced based on recent theoretical and experimental works. The improvements include (1) updating the H<sub>2</sub>/O<sub>2</sub> sub-mechanism; (2) refining the rate constants in the HCO/CH<sub>3</sub>/CH<sub>2</sub>O sub-mechanism; (3) building a new reduced C<sub>2</sub> sub-mechanism; and (4) improving the large-molecule sub-mechanism. With the improved decoupling methodology, a skeletal primary reference fuel (PRF) mechanism is developed. The mechanism is validated against the experimental data in shock tubes, jet-stirred reactors, and premixed and counterflow flames for various PRF fuels covering the temperature range of 500–1450 K, the pressure range of 0.1–5.5 MPa, and the equivalence ratio range of 0.25–1.0. Finally, the skeletal mechanism is coupled with a multi-dimensional computational fluid dynamics model to simulate the combustion and emission characteristics of homogeneous charge compression ignition (HCCI) engines fueled with <italic>iso</italic>-octane and PRF. Overall, the agreements between the experiment and prediction are satisfactory.</p>