Influence of NOx chemistry on the prediction of natural gas end-gas autoignition in CFD engine simulations

Bestel, Diego; Olsen, Daniel; Marchese, Anthony; Windom, Bret

doi:10.1016/j.proci.2022.07.225

Influence of NOx chemistry on the prediction of natural gas end-gas autoignition in CFD engine simulations

Journal Article · Wed Sep 28 00:00:00 EDT 2022 · Proceedings of the Combustion Institute

DOI:https://doi.org/10.1016/j.proci.2022.07.225· OSTI ID:2418023

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Colorado State Univ., Fort Collins, CO (United States); OSTI
Colorado State Univ., Fort Collins, CO (United States)

Natural gas (NG) represents a promising low-cost/low-emission alternative to diesel fuel when used in high-efficiency internal combustion engines. Advanced combustion strategies utilizing high EGR rates and controlled end-gas autoignition can be implemented with NG to achieve diesel-like efficiencies; however, to support the design of these next-generation NG ICEs, computational tools, including single- and multi-dimensional simulation packages will need to account for the complex chemistry that can occur between the reactive species found in EGR (including NOx) and the fuel. Research has shown that NOx plays an important role in the promotion/inhibition of large hydrocarbon autoignition and when accounted for in CFD engine simulations, can significantly improve the prediction of end-gas autoignition for these fuels. However, reduced NOx-enabled NG mechanisms for use in CFD engine simulations are lacking, and as a result, the influence of NOx chemistry on NG engine operation remains unknown. Here, we analyze the effects of NOx chemistry on the prediction of NG/oxidizer/EGR autoignition and generate a reduced mechanism of a suitable size to be used in engine simulations. Results indicate that NG ignition is sensitive to NOx chemistry, where it was observed that the addition of EGR, which included NOx, promoted NG autoignition. The modified mechanism captured well all trends and closely matched experimentally measured ignition delay times for a wide range of EGR rates and NG compositions. Here, the importance of C2-C3 chemistry is noted, especially for wet NG compositions containing high fractions of ethane and propane. Finally, when utilized in CFD simulations of a Cooperative Fuels Research (CFR) engine, the new reduced mechanism was able to predict the knock onset crank angle (KOCA) to within one crank angle degree of experimental data, a significant improvement compared to previous simulations without NOx chemistry.

View Accepted Manuscript (DOE)

Research Organization:: Colorado State Univ., Fort Collins, CO (United States)

Sponsoring Organization:: USDOE; USDOE Office of Energy Efficiency and Renewable Energy (EERE)

Grant/Contract Number:: EE0008331

OSTI ID:: 2418023

Alternate ID(s):: OSTI ID: 1984114

Journal Information:: Proceedings of the Combustion Institute, Journal Name: Proceedings of the Combustion Institute Journal Issue: 4 Vol. 39; ISSN 1540-7489

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

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