Biologically derived diesel fuel and NO formation: Part 2: Model development and extended validation

Part 1 of this two part series presented a chemical kinetic model for the simulation of high pressure shock tube pyrolysis and oxidation data of two representative biodiesel surrogate components and the application of this model for predicting prompt NO at practical diesel combustion conditions. The present work discusses in greater detail the model’s development, structure, and rate parameters as well as expands the model’s validation range to include complementary 10 atm jet stirred reactor (JSR) oxidation experiments conducted at lower temperatures (550–1200 K) and longer reaction times of 0.7 s. In addition, shock tube ignition delay measurements of 1-heptene and 1,6-heptadiene, analogs of the hydrocarbon side chains of the methyl esters, have also been performed and are presented to further constrain the model.