A feasibility study on the use of low-dimensional simulations for database generation in adaptive chemistry approaches

Large eddy simulation (LES)/ Probability Density Function (PDF) approaches are now well established and can be used for simulating challenging turbulent combustion configurations with strong turbulence chemistry interactions. Transported PDF methods are known to be computationally expensive compared to flamelet-like turbulent combustion models. The pre-partitioned adaptive chemistry (PPAC) methodology was developed to address this cost differential. PPAC entails an offline preprocessing stage, where a set of reduced models are generated starting from an initial database of representative compositions. At runtime, this set of reduced models are dynamically utilised during the reaction fractional step leading to computational savings. We have recently combined PPAC with in-situ adaptive tabulation (ISAT) to further reduce the computational cost. We have shown that the combined method reduced the average wall-clock time per time step of large-scale LES/particle PDF simulations of turbulent combustion by 39%. A key assumption in PPAC is that the initial database used in the offline stage is representative of the compositions encountered at runtime. In our previous study this assumption was trivially satisfied as the initial database consisted of compositions extracted from the turbulent combustion simulation itself. Consequently, a key open question remains as to whether such databases can be generated without having access to the turbulent combustion simulation. Towards answering this question, in the current work, we explore whether the compositions for forming such a database can be extracted from computationally-efficient low-dimensional simulations such as 1D counterflow flames and partially stirred reactors. We show that a database generated using compositions extracted from a partially stirred reactor configuration leads to performance comparable to the optimal case, wherein the database is comprised of compositions extracted directly from the LES/PDF simulation itself.