Skeletal CH3OH/NOx Kinetic Model for Simulating Spark-Ignition and Turbulent Jet Ignition Engines.

Methanol is a promising renewable fuel for achieving a better engine combustion efficiency and lower exhaust emissions. Under exhaust gas recirculation conditions, trace amounts of nitrogen oxides have been shown to participate in fuel oxidation and impact the ignition characteristics significantly. Despite numerous studies that analyzed the methanol/NOx interaction, no reliable skeletal kinetic mechanism is available for computational fluid dynamics (CFD) modeling. This work focuses on developing a skeletal CH3OH/NOx kinetic model consisting of 25 species and 55 irreversible and 27 reversible reactions, used for full-cycle engine combustion simulations. New experiments of methanol with the presence of 200 ppmv NO/NO2 were conducted in a rapid compression machine (RCM) at engine-relevant conditions (20-30 bar, 850-950 K). Experimental results indicate notable enhancement effects of the presence of NO/NO2 on methanol ignition under the conditions tested, which highlights the importance of including the CH3OH/NOx interactions in predicting combustion performance. The proposed skeletal mechanism was validated against the literature and new methanol and methanol/NOx experiments over a wide range of operating conditions. Furthermore, the skeletal mechanism was applied in three-dimensional (3D) CFD full-cycle simulations of spark-ignition (SI) and turbulent jet ignition (TJI) engine combustion using methanol. Simulation results demonstrate good agreement with experimental measurements of pressure traces and engine metrics, proving that the proposed skeletal mechanism is suitable and sufficient for CFD simulations.

High-resolution molecular fingerprinting in the 11.6-15†µm range by a quasi-CW difference-frequency-generation laser source.

We report an approach for high-resolution spectroscopy using a widely tunable laser emitting in the molecular fingerprint region. The laser is based on difference-frequency generation (DFG) in a nonlinear orientation-patterned GaAs crystal. The signal laser, a CO2 gas laser, is operated in a kHz-pulsed mode while the pump laser, an external-cavity quantum cascade laser, is finely mode-hop-free tuned. The idler radiation covers a spectral range of ∼11.6-15 µm with a laser linewidth of ∼ 2.3 MHz. We showcase the versatility and the potential for molecular fingerprinting of the developed DFG laser source by resolving the absorption features of a mixture of several species in the long-wavelength mid-infrared. Furthermore, exploiting the wide tunability and resolution of the spectrometer, we resolve the broadband absorption spectrum of ethylene (C2H4) over ∼13-14.2 µm and quantify the self-broadening coefficients of some selected spectral lines.