Search Results

This work is an extension to a previously reported work on chemical kinetic mechanism reduction scheme for large-scale mechanisms. Here, Perfectly Stirred Reactor (PSR) was added as a criterion of data source for mechanism reduction instead of using only auto-ignition condition. As a result, a reduced n-hexadecane mechanism with 79 species for diesel fuel surrogate was successfully derived from the detailed mechanism. Following that, the reduced n-hexadecane mechanism was validated under auto-ignition and PSR conditions using zero-dimensional (0-D) closed homogeneous batch reactor in CHEMKIN-PRO software. Agreement was achieved between the reduced and detailed mechanisms in ignition timing predictions and the reduced n-hexadecane mechanism was able to reproduce species concentration profiles with a maximum error of 40%. Accordingly, two-dimensional (2-D) Computational Fluid Dynamic (CFD) simulations were performed to study the spray combustion phenomena within a constant volume bomb.