The Role of Differential Diffusion during Early Flame Kernel Development under Engine Conditions -- Part I: Analysis of the Heat-Release-Rate Response

Although experimental evidence for the correlation between early flame kernel development and cycle-to-cycle variations (CCV) in spark ignition (SI) engines was provided long ago, there is still a lack of fundamental understanding of early flame/turbulence interactions, and accurate models for full engine simulations do not exist. Since the flame kernel is initiated with small size, i.e. with large positive curvature, differential diffusion is expected to severely alter early flame growth in non-unity-Lewis-number (${\mathrm{Le}\neq1}$) mixtures as typically used in engines. In this work, a DNS database of developing iso-octane/air flame kernels and planar flames has been established with flame conditions representative for stoichiometric engine part-load operation. Differential diffusion effects on the global heat release rate are analyzed by relating the present findings to equivalent flames computed in the ${\mathrm{Le}=1}$ limit. It is shown that in the early kernel development phase, the normal propagation velocity is significantly reduced with detrimental consequences on the global burning rate of the flame kernel. Besides this impact on the overall mass burning rate, the initial production of flame surface area by the normal propagation term in the flame area balance equation is noticeably reduced. By using the optimal estimator concept, it is shown that strong fluctuations in local heat release rate inherent to ${\mathrm{Le}\neq1}$ flames in the thin reaction zones regime are mainly contained in the parameters local equivalence ratio, enthalpy, and H-radical mass fraction. Differential diffusion couples the evolution of these parameters to the unsteady flame geometry and structure, which is analyzed in Part II of the present study (Falkenstein et al., Combust. Flame, 2019).