Towards Using Realistic Chemical Kinetics in Multidimensional CFD

This paper presents several advanced solution strategies for overcoming the CPU time barrier associated with solving realistic fuel chemistry in multidimensional CFD. The strategies include a dynamic multi-zone (DMZ) partitioning scheme, a dynamic adaptive chemistry (DAC) scheme, and an advanced ODE solver developed at Reaction Design that takes advantage of the sparsity of detailed reaction mechanisms. All of the solution strategies were implemented in CHEMKIN-CFD/API and tested by using KIVA-3V as the CFD framework. Compared to conventional solution approaches, the use of these advanced strategies can improve the overall computational efficiency of solving the detailed fuel chemistry by two to three orders of magnitude in typical engine simulations, making the once-prohibitive computational tasks feasible with minimal or zero loss of accuracy