Effect of mixing on hydrocarbon and carbon monoxide emissions prediction for isooctane hcci engine combustion using a multi-zone detailed kinetics solver

This research investigates how the handling of mixing and heat transfer in a multi-zone kinetic solver affects the prediction of carbon monoxide and hydrocarbon emissions for simulations of HCCI engine combustion. A detailed kinetics multi-zone model is now more closely coordinated with the KIVA3V computational fluid dynamics code for simulation of the compression and expansion processes. The fluid mechanics is solved with high spatial and temporal resolution (40,000 cells). The chemistry is simulated with high temporal resolution, but low spatial resolution (20 computational zones). This paper presents comparison of simulation results using this enhanced multi-zone model to experimental data from an isooctane HCCI engine. The chemical kinetics part of the simulation is handled using the multi-zone segregated solver method developed previously, but now KIVA3V is used to handle the fluid dynamics (convection, mass diffusion and heat transfer) for the entire compression and expansion processes. The results show that carbon monoxide and hydrocarbon emissions may be greatly influenced by the mixing and heat transfer during expansion. The prediction of HC and CO is significantly improved by inclusion of these effects in the simulation.